1# 2# Siesta/Src/Makefile 3# 4# Copyright (C) 1996-2016 The SIESTA group 5# This file is distributed under the terms of the 6# GNU General Public License: see COPYING in the top directory 7# or http://www.gnu.org/copyleft/gpl.txt. 8# See Docs/Contributors.txt for a list of contributors. 9# 10# 11# Makefile for SIESTA 12# 13# Remove implicit rules 14.SUFFIXES: 15 16VPATH=. 17 18# Default compiler variables 19AR ?= ar 20RANLIB ?= ranlib 21 22default: siesta 23include arch.make 24 25# Ensure the correct implicit rules for the compilation 26# SIESTA relies on these extensions and thus we 27# force them to be here. 28# Importantly these should be after the include statement. 29# Note that this will not help the utilities. 30.SUFFIXES: .f .f90 .F .F90 .c .o .a 31 32 33lib: libSiestaXC.a libfdf.a libSiestaForces.a 34 35dist: 36 make -f makefile.lit dist 37dep: 38 -if [ $(VPATH) = "." ] ; then \ 39 sfmakedepend --depend=obj --modext=o \ 40 *.f *.f90 *.F *.F90 *.T90 ; \ 41 else \ 42 sfmakedepend --depend=obj --modext=o \ 43 $(VPATH)/*.f $(VPATH)/*.f90 $(VPATH)/*.F $(VPATH)/*.F90 ; \ 44 fi 45 @sed -i -e "/^siesta_cmlsubs.o:/s/version.o//" Makefile 46 @sed -i -e 's/\.T90\.o:/.o:/g' Makefile 47 48INCFLAGS:= $(NETCDF_INCFLAGS) $(PEXSI_INCFLAGS) $(INCFLAGS) 49 50 51# For removing any -ipo compilation in sub directories... 52# Later compilers are also having this enabled, and it lets you 53# specify what to not be used in libraries. 54# This is so because inter-procedural compilation should NOT be performed in 55# libraries (it removes names when a routine can be fully moved into others) 56IPO_FLAG?= -ipo 57 58 59.PHONY: what version 60 61what: 62 @echo 63 @if [ "$(VPATH)" = . ]; then \ 64 echo "** You can no longer build SIESTA in Src." ;\ 65 echo "** Go to the Obj directory and see the README file." ;\ 66 false ;\ 67 fi 68 @echo "Compilation architecture to be used: ${SIESTA_ARCH}" 69 @echo "If this is not what you want, create the right" 70 @echo "arch.make file using the models in Src/Sys" 71 @echo 72 @echo "Hit ^C to abort..." 73 @sleep 2 74 75 76SYSOBJ=$(SYS).o pxf.o sockets.o fsockets.o # includes C socket library and F90 interface 77 78# Note that machine-specific files are now in top Src directory. 79MAIN_OBJ = siesta.o 80 81 82OBJS = automatic_cell.o atom_options.o \ 83 arw.o atomlwf.o bands.o basis_enthalpy.o bessph.o bonds.o \ 84 born_charge.o cgwf.o chkdim.o chkgmx.o \ 85 chempot.o coceri.o coxmol.o cross.o compute_norm.o\ 86 denmat.o denmatlomem.o detover.o dfscf.o diagon.o digcel.o \ 87 fft.o dhscf.o constr.o diagk_file.o \ 88 diagg.o diagk.o diagkp.o diag2g.o diag2k.o diag2kp.o diag3g.o diag3k.o diag3kp.o diagpol.o \ 89 diag2kspiral.o dipole.o dismin.o dnaefs.o doping_uniform.o dot.o \ 90 m_efield.o egandd.o ener3.o ener3lomem.o errorf.o extrapolon.o \ 91 m_fixed.o interpolation.o gradient.o gradientlomem.o grdsam.o \ 92 hsparse.o idiag.o initatom.o inver.o iodm_netcdf.o \ 93 iodmhs_netcdf.o iogrid_netcdf.o iolwf.o iozm.o ipack.o iopipes.o iosockets.o \ 94 iowfs_netcdf.o kgrid.o kgridinit.o kinefsm.o ksv.o ksvinit.o linpack.o local_DOS.o\ 95 madelung.o mesh.o meshphi.o meshdscf.o memory.o meshsubs.o metaforce.o \ 96 m_supercell.o mulliken.o minvec.o naefs.o \ 97 m_new_dm.o normalize_dm.o ordern.o outcell.o outcoor.o \ 98 m_fft_gpfa.o \ 99 pdos.o pdosg.o pdosk.o pdoskp.o phirphi.o pixmol.o plcharge.o \ 100 projected_DOS.o propor.o m_partial_charges.o \ 101 randomg.o reclat.o redcel.o \ 102 reinit.o reord.o reordpsi.o rhoofd.o rhoofdsp.o rhooda.o \ 103 savepsi.o shaper.o timer_tree.o timer.o \ 104 vmb.o vmat.o vmatsp.o volcel.o \ 105 cgvc.o cgvc_zmatrix.o m_convergence.o \ 106 iocg.o ioeig.o iofa.o iokp.o iomd.o kpoint_pdos.o typecell.o \ 107 ofc.o poison.o radfft.o \ 108 write_md_record.o kpoint_grid.o find_kgrid.o proximity_check.o\ 109 state_init.o siesta_move.o setup_hamiltonian.o compute_dm.o mixer.o\ 110 scfconvergence_test.o post_scf_work.o state_analysis.o write_subs.o \ 111 siesta_init.o struct_init.o siesta_options.o read_options.o siesta_geom.o \ 112 siesta_analysis.o siesta_end.o siesta_forces.o \ 113 io.o sparse_matrices.o \ 114 coor.o atm_transfer.o \ 115 broadcast_basis.o eggbox.o \ 116 optical.o phirphi_opt.o reoptical.o transition_rate.o \ 117 initparallel.o show_distribution.o setspatial.o setatomnodes.o uncell.o \ 118 cart2frac.o obc.o \ 119 precision.o sys.o m_cell.o files.o \ 120 spatial.o parallel.o parallelsubs.o parsing.o chemical.o atom.o atmparams.o \ 121 m_mpi_utils.o fdf_extra.o m_iorho.o \ 122 atmfuncs.o listsc.o memoryinfo.o m_memory.o sorting.o \ 123 atomlist.o atm_types.o old_atmfuncs.o radial.o \ 124 alloc.o spher_harm.o periodic_table.o version.o timestamp.o \ 125 basis_types.o xml.o pseudopotential.o basis_specs.o basis_io.o\ 126 dftu.o dftu_specs.o \ 127 onmod.o densematrix.o writewave.o on_subs.o fermid.o m_broyddj.o \ 128 electrostatic.o mneighb.o globalise.o siesta_cmlsubs.o siesta_cml.o \ 129 units.o zmatrix.o m_broyden_mixing.o forhar.o m_walltime.o m_wallclock.o m_iostruct.o \ 130 nlefsm.o overfsm.o overlap.o conjgr.o conjgr_old.o m_energies.o m_steps.o\ 131 m_broyddj_nocomm.o broyden_optim.o ioxv.o dynamics.o md_out.o \ 132 molecularmechanics.o zm_broyden_optim.o \ 133 cell_broyden_optim.o remove_intramol_pressure.o \ 134 m_ntm.o m_dipol.o m_kinetic.o m_rmaxh.o \ 135 m_forces.o m_stress.o m_eo.o m_spin.o m_hsx.o m_fire.o setup_H0.o \ 136 get_kpoints_scale.o get_target_stress.o fire_optim.o zm_fire_optim.o \ 137 cell_fire_optim.o m_fire_para.o m_fire_mixing.o write_raw_efs.o \ 138 pdos2g.o pdos2k.o pdos3g.o pdos3k.o spinorbit.o moments.o \ 139 fsiesta_mpi.o \ 140 final_H_f_stress.o \ 141 debugmpi.o qsort.o save_density_matrix.o \ 142 m_dscfcomm.o schecomm.o moremeshsubs.o \ 143 domain_decom.o printmatrix.o mmio.o pspltm1.o lenstr.o \ 144 setup_ordern_indexes.o\ 145 m_iodm.o m_iodm_old.o \ 146 m_filter.o \ 147 m_io.o m_io_yaml.o \ 148 m_timer.o \ 149 extrae_module.o extrae_eventllist.o\ 150 moreParallelSubs.o \ 151 read_xc_info.o \ 152 siesta_master.o \ 153 bsc_cellxc.o \ 154 vacuum_level.o \ 155 write_orb_indx.o \ 156 die.o m_pexsi.o m_pexsi_driver.o m_pexsi_dos.o m_pexsi_local_dos.o\ 157 m_redist_spmatrix.o \ 158 class_Distribution.o\ 159 m_dminim.o m_zminim.o \ 160 m_getopts.o f2kcli.o \ 161 m_svd.o m_matio.o\ 162 rusage.o memory_snapshot.o compute_ebs_shift.o memory_all.o \ 163 matel_registry.o register_rfs.o new_matel.o \ 164 kpoint_convert.o \ 165 m_target_stress.o compute_max_diff.o 166 167OBJS += init_output.o 168 169# Diagonalization algorithm 170OBJS += diag_option.o diag.o 171 172# Mixing algorithms 173OBJS += m_mixing.o m_mixing_scf.o 174 175# Bloch-unfolding 176OBJS += bloch_unfold.o 177 178# Wannier90 interface 179OBJS += m_trialorbitalclass.o siesta2wannier90.o m_planewavematrixvar.o \ 180 delk.o m_planewavematrix.o m_digest_nnkp.o broadcast_projections.o \ 181 compute_pw_matrix.o m_writedelk.o mmn.o m_noccbands.o amn.o \ 182 m_overkkneig.o write_inp_wannier.o diagonalizeHk.o m_orderbands.o\ 183 m_check_walltime.o print_spin.o 184 185# class Objects 186OBJS += class_OrbitalDistribution.o \ 187 class_Sparsity.o \ 188 class_Data1D.o class_Data2D.o \ 189 class_SpData1D.o class_SpData2D.o \ 190 restructSpData2D.o extrapolateSpData2D.o \ 191 class_Geometry.o \ 192 class_Fstack_Data1D.o \ 193 class_Pair_Data1D.o \ 194 class_Fstack_Pair_Data1D.o \ 195 class_Pair_Geometry_SpData2D.o \ 196 class_Fstack_Pair_Geometry_SpData2D.o \ 197 class_Pair_SpData1D.o \ 198 class_Fstack_Pair_SpData1D.o \ 199 class_TriMat.o m_trimat_invert.o \ 200 m_uuid.o object_debug.o 201 202# As the classes are based on inputs we force the dependency to alloc 203class_Sparsity.o class_Data1D.o class_Data2D.o class_TriMat.o: alloc.o 204 205OBJS += m_rhog.o rhofft.o m_diis.o compute_energies.o 206 207# Generic modules 208OBJS += m_char.o m_os.o 209OBJS += intrinsic_missing.o geom_helper.o m_sparse.o 210OBJS += m_handle_sparse.o m_mesh_node.o 211OBJS += create_Sparsity_SC.o create_Sparsity_Union.o 212OBJS += m_gauss_quad.o 213OBJS += m_gauss_fermi_inf.o m_gauss_fermi_30.o m_gauss_fermi_28.o 214OBJS += m_gauss_fermi_26.o m_gauss_fermi_24.o m_gauss_fermi_22.o 215OBJS += m_gauss_fermi_20.o m_gauss_fermi_19.o m_gauss_fermi_18.o 216OBJS += m_gauss_fermi_17.o 217OBJS += m_integrate.o m_interpolate.o m_mat_invert.o m_monitor.o 218OBJS += m_iterator.o m_pivot_array.o 219 220OBJS += dm_charge.o 221 222# Pivot (of sparsity pattern) routines 223OBJS += m_pivot.o m_pivot_methods.o 224 225# Super-cell calculations/information modules 226OBJS += atom_graph.o 227 228# Geometry modules 229OBJS += m_geom_aux.o m_geom_objects.o 230OBJS += m_geom_box.o m_geom_coord.o m_geom_square.o m_geom_plane.o 231 232# Charge and Hartree Geometries 233OBJS += m_charge_add.o m_hartree_add.o 234 235# New io-routines 236OBJS += m_io_s.o 237ifneq (,$(findstring -DTEST_IO,$(FPPFLAGS))) 238OBJS += m_test_io.o m_matio.o 239endif 240 241# Region objects 242OBJS += m_region.o m_sparsity_handling.o 243 244# IO-modules 245OBJS += m_ncdf_siesta.o m_ncdf_io.o m_exp_coord.o 246 247# Lua interface 248OBJS += flook_siesta.o siesta_dicts.o 249 250# Add citation package 251OBJS += m_cite.o 252 253# Special dependency that sfmakedepend cannot grasp for now 254m_pexsi.o m_pexsi_driver.o m_pexsi_dos.o m_pexsi_local_dos.o: f_ppexsi_interface.o 255 256#-------------------------------------------------------------- 257# First, it needs to be configured. This may have been done 258# by the main SIESTA configure, but in case not: 259FC_DEFAULT:=$(FC) 260FC_SERIAL?=$(FC_DEFAULT) 261 262#-------------------------------------------------------------- 263XMLPARSER=libxmlparser.a 264$(XMLPARSER): 265 (cd xmlparser ; $(MAKE) -j 1 "VPATH=$(VPATH)/xmlparser" \ 266 FFFLAGS="$(FFLAGS:$(IPO_FLAG)=)" module) 267 268WXML=libwxml.a 269$(WXML): 270 (cd wxml ; $(MAKE) -j 1 "VPATH=$(VPATH)/wxml" \ 271 FFFLAGS="$(FFLAGS:$(IPO_FLAG)=)" module) 272#-------------------------------------------------------------- 273libmpi_f90.a: 274 @(cd MPI ; $(MAKE) -j 1 \ 275 "VPATH=$(VPATH)/MPI" \ 276 "FPP_FLAGS=$(FPP_FLAGS)" \ 277 "FFLAGS=$(FFLAGS:$(IPO_FLAG)=)" ) 278 279#-------------------------------------------------------------- 280FDF=libfdf.a 281$(FDF): $(MPI_INTERFACE) 282 (cd fdf ; $(MAKE) -j 1 "VPATH=$(VPATH)/fdf" \ 283 "FPPFLAGS=$(FPPFLAGS)" \ 284 "FFLAGS=$(FFLAGS:$(IPO_FLAG)=)" module ) 285 286#-------------------------------------------------------------- 287XC=libSiestaXC.a 288$(XC): $(FDF) 289 (cd SiestaXC ; $(MAKE) -j 1 \ 290 "VPATH_ROOT=$(VPATH)" \ 291 "INCFLAGS=-I../MPI" \ 292 "FFLAGS=$(FFLAGS:$(IPO_FLAG)=)" module ) 293 294####################### 295# TS-TBT libs: 296# 297# Libraries used by transiesta and tbtrans 298# They are currently supplied by this distribution 299# All rights reserved for the author of these libraries. 300# Author: Nick R. Papior 301 302# This library can be found at: 303# https://github.com/zerothi/fdict 304FDICT=libfdict.a 305$(FDICT): 306 (cd fdict ; rm -rf obj ; mkdir obj ; cd obj ; \ 307 echo "TOP_DIR=$(VPATH)/fdict" > Makefile ; echo "include $(VPATH)/fdict/Makefile" >> Makefile ; \ 308 echo "FC=$(FC_SERIAL)" > setup.make ; \ 309 echo "AR=$(AR)" >> setup.make ; \ 310 echo "RANLIB=$(RANLIB)" >> setup.make ; \ 311 echo "FFLAGS=$(FFLAGS)" >> setup.make ; \ 312 $(MAKE) -j 1 copy ; $(MAKE) -j 1 lib SHARED=0) 313 @cp -p fdict/obj/*.mod ./ 314 cp fdict/obj/$(FDICT) ./ 315 316# This library can be found at: 317# https://github.com/zerothi/ncdf 318NCDF=libncdf.a 319$(NCDF): $(FDICT) 320 (cd ncdf ; rm -rf obj ; mkdir obj ; cd obj ; \ 321 echo "TOP_DIR=$(VPATH)/ncdf" > Makefile ; echo "include $(VPATH)/ncdf/Makefile" >> Makefile ; \ 322 echo "settings.bash: FORCE" >> Makefile ; \ 323 printf '%s\n' " -cp ../../fdict/obj/settings.bash ." >> Makefile ; \ 324 echo "FC=$(FC)" > setup.make ; \ 325 echo "AR=$(AR)" >> setup.make ; \ 326 echo "RANLIB=$(RANLIB)" >> setup.make ; \ 327 echo "FFLAGS=$(FFLAGS)" >> setup.make ; \ 328 echo "FPPFLAGS = $(FPPFLAGS)" >> setup.make ; \ 329 echo "INCLUDES = $(INCFLAGS) -I../../" >> setup.make ; \ 330 echo "LIBS = $(LIBS) -lfdict" >> setup.make ; \ 331 $(MAKE) -j 1 copy ; $(MAKE) -j 1 lib SHARED=0) 332 @cp -p ncdf/obj/*.mod ./ 333 cp ncdf/obj/$(NCDF) ./ 334 335####################### 336 337 338# Routines using fdf calls. 339# Woefully incomplete, but the $(FDF) target is made first. 340dhscf.o iolwf.o grdsam.o : $(FDF) 341recoor.o outcoor.o ioxv.o m_iostruct.o kgrid.o kgridinit.o ksv.o : $(FDF) 342redata.o siesta.o diagon.o pdos.o plcharge.o: $(FDF) 343coor.o cgvc.o iocg.o ioeig.o iofa.o iokp.o iomd.o ofc.o : $(FDF) 344eggbox.o iopipes.o : $(FDF) 345atom.o basis_io.o basis_specs.o: $(FDF) 346dftu_specs.o: $(FDF) 347 348 349# 350# Linear algebra routines 351# 352libsiestaBLAS.a: Libs/blas.F 353 @echo "==> Compiling libsiestaBLAS.a in Libs..." 354 @(cd Libs ; $(MAKE) -j 1 "VPATH=$(VPATH)/Libs" "FFLAGS=$(FFLAGS:$(IPO_FLAG)=)" libsiestaBLAS.a) 355 @cp Libs/libsiestaBLAS.a . 356 357ifneq (,$(findstring libsiestaLAPACK.a,$(COMP_LIBS))) 358 # Automatically add the DIAG_2STAGE solvers. 359 ifeq (,$(findstring SIESTA__DIAG_2STAGE,$(FPPFLAGS))) 360 FPPFLAGS += -DSIESTA__DIAG_2STAGE 361 endif 362 ifeq (,$(findstring MPI,$(FPPFLAGS))) 363 ifeq (,$(findstring SIESTA__MRRR,$(FPPFLAGS))) 364 FPPFLAGS += -DSIESTA__MRRR 365 endif 366 endif 367endif 368libsiestaLAPACK.a: Libs/lapack.F 369 @echo "==> Compiling libsiestaLAPACK.a in Libs..." 370 @(cd Libs ; $(MAKE) -j 1 "VPATH=$(VPATH)/Libs" "FFLAGS=$(FFLAGS:$(IPO_FLAG)=)" libsiestaLAPACK.a) 371 @cp Libs/libsiestaLAPACK.a . 372 373libblas.a: 374 @echo "" 375 @echo "SIESTA: $@ has been deprecated in favor of:" 376 @echo " COMP_LIBS += libsiestaBLAS.a" 377 @echo "Please update your arch.make file accordingly..." 378 @echo "" 379 @false 380liblapack.a dc_lapack.a zgesv_lapack.a essl_lapack.a: 381 @echo "" 382 @echo "SIESTA: $@ has been deprecated in favor of:" 383 @echo " COMP_LIBS += libsiestaLAPACK.a" 384 @echo "Please update your arch.make file accordingly..." 385 @echo "" 386 @false 387linalg.a: 388 @echo "" 389 @echo "SIESTA: $@ has been deprecated in favor of:" 390 @echo " COMP_LIBS += libsiestaLAPACK.a libsiestaBLAS.a" 391 @echo "Please update your arch.make file accordingly..." 392 @echo "" 393 @false 394 395 396# Extract information of the compiler version used. 397# This is very basic but for intel, gcc, pgi and open64 398# this at least contain the version string of the compiler. 399# Possibly later the used compiler version may be extracted. 400COMPILER_VERSION := $(shell $(FC) --version | sed '/^[ ]*$$/d;q') 401ifeq ($(COMPILER_VERSION),) 402 # Just try and capture the case were it can not figure out anything 403 COMPILER_VERSION := Unknown version 404endif 405 406.PHONY: version version.o 407version.o: version 408version: version.F90 409 @echo 410 @echo "==> Incorporating information about present compilation (compiler and flags)" 411 @sed "s'SIESTA_ARCH'${SIESTA_ARCH}'g;s'FFLAGS'${FC} ${FFLAGS}'g;\ 412 s^COMPILER_VERSION^$(COMPILER_VERSION)^;\ 413 s'SIESTA_VERSION'$$(cat ${<D}/../version.info)'g;\ 414 s'LIBS'$(COMP_LIBS) $(LIBS)'g;\ 415 s'FPPFLAGS'$(FPPFLAGS)'g" $< > tmp.F90 416 @awk '{if (length>80) { cur=78; \ 417 printf "%s&\n",substr($$0,0,78); \ 418 while(length-cur>78){ cur=cur+76 ; \ 419 printf "&%s&\n",substr($$0,cur-76,76) \ 420 } printf "&%s\n",substr($$0,cur)} else { print $$0 }}' tmp.F90 > compinfo.F90 421 $(MAKE) "FPPFLAGS=$(FPPFLAGS)" compinfo.o 422 @mv compinfo.o version.o 423 @echo 424 425 426#---------------------------------------------------------------------------- 427# TranSIESTA objects needed for siesta 428OBJS += m_ts_io.o 429 430# TranSIESTA... 431TS_OBJS= m_ts_global_vars.o m_ts_options.o m_ts_aux.o m_ts_kpoints.o \ 432 m_ts_iodm.o \ 433 m_ts_electrode.o m_ts_gf.o \ 434 m_ts_cctype.o ts_init.o ts_show_regions.o m_ts_electype.o \ 435 m_ts_method.o m_ts_elec_se.o \ 436 m_ts_debug.o m_ts_tdir.o \ 437 m_ts_chem_pot.o m_transiesta.o m_ts_hartree.o m_ts_voltage.o \ 438 ts_energies.o 439 440# contour objects 441TS_OBJS += m_ts_contour_eq.o m_ts_contour_neq.o m_ts_io_ctype.o \ 442 m_ts_contour.o m_ts_io_contour.o 443 444# Transiesta objects (new memory reduced objects) 445TS_OBJS += m_ts_rgn2trimat.o \ 446 m_ts_dm_update.o m_ts_weight.o \ 447 m_ts_sparse.o m_ts_sparse_helper.o \ 448 m_ts_pivot.o 449 450# Charge objects 451TS_OBJS += ts_charge.o ts_dq.o 452 453# Sparse full-matrix method 454TS_OBJS += m_ts_fullg.o m_ts_fullk.o m_ts_full_scat.o 455 456# Sparse tri-diagonal matrix method 457TS_OBJS += m_ts_tri_init.o m_ts_tri_common.o \ 458 m_ts_trimat_invert.o \ 459 m_ts_tri_scat.o m_ts_trig.o m_ts_trik.o 460 461# MUMPS method 462TS_OBJS += m_ts_mumps_init.o m_ts_mumpsg.o m_ts_mumpsk.o m_ts_mumps_scat.o 463 464OBJS += $(TS_OBJS) 465 466# Create all objects 467ALL_OBJS=$(OBJS) $(SYSOBJ) $(MAIN_OBJ) 468 469# All objects require the XC library (in theory) 470# In practice they do not but it greatly simplifies the logic 471# here. 472# This will setup the correct compilation sequence as 473# WXML => XC => FDF => MPI 474$(ALL_OBJS): $(WXML) $(XC) $(COMP_LIBS) 475 476# Build options 477 478libSiestaForces.a: $(OBJS) $(SYSOBJ) 479 $(AR) $(ARFLAGS_EXTRA) cru libSiestaForces.a $(OBJS) $(SYSOBJ) 480 @if [ ! -z "$(MPI_INTERFACE)" ] ; then \ 481 $(AR) $(ARFLAGS_EXTRA) cru libSiestaForces.a MPI/*.o ; fi 482 -$(RANLIB) libSiestaForces.a 483 484 485check-siesta: 486 @if [ -f .transiesta ]; then \ 487 echo "** You were building transiesta in this directory." ;\ 488 echo "** Please type 'make clean-transiesta' first " ;\ 489 false ;\ 490 fi 491 @touch .siesta 492 493check-transiesta: 494 @if [ -f .siesta ]; then \ 495 echo "** You were building siesta in this directory." ;\ 496 echo "** Please type 'make clean-transiesta' first " ;\ 497 false ;\ 498 fi 499 @touch .transiesta 500 501siesta: check-siesta what version \ 502 $(MPI_INTERFACE) $(FDF) $(WXML) $(XMLPARSER) $(XC) \ 503 $(COMP_LIBS) $(ALL_OBJS) 504 $(FC) -o siesta \ 505 $(LDFLAGS) $(ALL_OBJS) $(FDF) $(WXML) $(XMLPARSER) \ 506 $(XC) $(MPI_INTERFACE) $(COMP_LIBS) $(LIBS) 507 508 509.PHONY: clean-ts clean-transiesta 510clean-ts: clean-transiesta 511clean-transiesta: 512 -rm -f m_ts_options.o .siesta .transiesta 513 514ts: transiesta 515transiesta: FPPFLAGS += -DTRANSIESTA 516transiesta: check-transiesta what version \ 517 $(MPI_INTERFACE) $(FDF) $(WXML) $(XMLPARSER) $(XC) \ 518 $(COMP_LIBS) $(ALL_OBJS) 519 $(FC) -o transiesta \ 520 $(LDFLAGS) $(ALL_OBJS) $(FDF) $(WXML) $(XMLPARSER) \ 521 $(XC) $(MPI_INTERFACE) $(COMP_LIBS) $(LIBS) 522 523 524clean: 525 @echo "==> Cleaning object, library, and executable files" 526 rm -f siesta transiesta *.o *.a *.pcl *.pc 527 rm -f *.mod 528 rm -f compinfo.F90 tmp.F90 529 rm -f *.bck *~ 530 rm -f aux_*.f aux_*.f90 531 (cd fdf ; $(MAKE) clean) 532 (cd xmlparser ; $(MAKE) clean) 533 (cd wxml ; $(MAKE) clean) 534 @if [ -d MPI ] ; then (cd MPI && $(MAKE) clean ) ; fi 535 @if [ -d fdict/obj ] ; then $(MAKE) -C fdict/obj clean ; fi 536 @if [ -d ncdf/obj ] ; then $(MAKE) -C ncdf/obj clean ; fi 537 (cd Libs ; $(MAKE) clean ) 538 (cd SiestaXC ; $(MAKE) clean ) 539 540 541# DO NOT DELETE THIS LINE - used by make depend 542Fstack.o: basic_type.inc 543Pair.o: basic_type.inc 544alloc.o: m_io.o parallel.o precision.o sys.o 545amn.o: alloc.o atmfuncs.o atomlist.o m_orderbands.o m_trialorbitalclass.o 546amn.o: matel_registry.o mneighb.o new_matel.o parallel.o parallelsubs.o 547amn.o: precision.o siesta2wannier90.o siesta_geom.o sys.o 548arw.o: alloc.o parallel.o precision.o sys.o 549atm_transfer.o: atm_types.o atmparams.o dftu_specs.o old_atmfuncs.o 550atm_transfer.o: periodic_table.o radial.o sys.o 551atm_types.o: precision.o radial.o 552atmfuncs.o: atm_types.o precision.o radial.o spher_harm.o sys.o 553atom.o: atmparams.o atom_options.o basis_specs.o basis_types.o interpolation.o 554atom.o: m_filter.o old_atmfuncs.o periodic_table.o precision.o 555atom.o: pseudopotential.o sys.o 556atom_graph.o: alloc.o atm_types.o atmfuncs.o class_OrbitalDistribution.o 557atom_graph.o: class_SpData1D.o class_SpData2D.o class_SpData2D.o 558atom_graph.o: class_Sparsity.o dftu_specs.o intrinsic_missing.o mneighb.o 559atom_graph.o: precision.o radial.o sorting.o sys.o 560atom_options.o: sys.o 561atomlist.o: alloc.o atm_types.o atmfuncs.o dftu_specs.o parallel.o precision.o 562atomlist.o: radial.o siesta_geom.o 563atomlwf.o: alloc.o atmfuncs.o mneighb.o onmod.o precision.o spatial.o sys.o 564automatic_cell.o: atm_types.o atmfuncs.o parallel.o precision.o units.o 565bands.o: alloc.o atmfuncs.o atomlist.o densematrix.o diag.o diag_option.o 566bands.o: files.o get_kpoints_scale.o m_spin.o parallel.o parallelsubs.o 567bands.o: precision.o siesta_geom.o sys.o writewave.o 568basis_enthalpy.o: atmfuncs.o atomlist.o precision.o siesta_geom.o units.o 569basis_io.o: atm_types.o atmparams.o atom_options.o basis_types.o chemical.o 570basis_io.o: precision.o pseudopotential.o radial.o sys.o xml.o 571basis_specs.o: basis_types.o chemical.o periodic_table.o precision.o 572basis_specs.o: pseudopotential.o sys.o 573basis_types.o: alloc.o atmparams.o precision.o pseudopotential.o sys.o 574bessph.o: precision.o sys.o 575bloch_unfold.o: units.o 576bonds.o: alloc.o atmfuncs.o mneighb.o precision.o sorting.o units.o 577born_charge.o: atomlist.o ksv.o ksvinit.o m_mpi_utils.o m_spin.o parallel.o 578born_charge.o: precision.o siesta_geom.o siesta_options.o sparse_matrices.o 579broadcast_basis.o: atm_types.o chemical.o dftu_specs.o m_mpi_utils.o parallel.o 580broadcast_basis.o: radial.o 581broadcast_projections.o: m_trialorbitalclass.o parallel.o siesta2wannier90.o 582broyden_optim.o: m_broyddj_nocomm.o m_memory.o parallel.o precision.o 583broyden_optim.o: siesta_options.o sys.o units.o 584bsc_cellxc.o: alloc.o mesh.o moremeshsubs.o parallel.o parallelsubs.o 585bsc_cellxc.o: precision.o sys.o 586cart2frac.o: precision.o sys.o 587cell_broyden_optim.o: m_broyddj_nocomm.o parallel.o precision.o sys.o units.o 588cell_broyden_optim.o: zmatrix.o 589cell_fire_optim.o: alloc.o m_fire.o m_memory.o parallel.o precision.o 590cell_fire_optim.o: siesta_options.o sys.o zmatrix.o 591cellsubs.o: precision.o 592cgvc.o: alloc.o conjgr_old.o m_mpi_utils.o parallel.o precision.o sys.o units.o 593cgvc_zmatrix.o: alloc.o conjgr.o m_mpi_utils.o parallel.o precision.o sys.o 594cgvc_zmatrix.o: units.o zmatrix.o 595cgwf.o: egandd.o onmod.o parallel.o precision.o sys.o 596chemical.o: parallel.o precision.o sys.o 597chempot.o: alloc.o mneighb.o parallel.o parallelsubs.o precision.o sys.o 598chkdim.o: sys.o 599chkgmx.o: cellsubs.o minvec.o precision.o sys.o 600class_Data1D.o: class_Data1D.T90 basic_type.inc 601class_Data1D.o: alloc.o 602class_Data1D.o: basic_type.inc 603class_Data1D.o: alloc.o 604class_Data2D.o: class_Data2D.T90 basic_type.inc 605class_Data2D.o: alloc.o 606class_Data2D.o: basic_type.inc 607class_Data2D.o: alloc.o 608class_Distribution.o: basic_type.inc 609class_Fstack_Data1D.o: Fstack.T90 basic_type.inc 610class_Fstack_Data1D.o: class_Data1D.o class_Data1D.o 611class_Fstack_Pair_Data1D.o: Fstack.T90 basic_type.inc 612class_Fstack_Pair_Data1D.o: class_Pair_Data1D.o class_Pair_Data1D.o 613class_Fstack_Pair_Geometry_SpData2D.o: Fstack.T90 basic_type.inc 614class_Fstack_Pair_Geometry_SpData2D.o: class_Pair_Geometry_SpData2D.o 615class_Fstack_Pair_SpData1D.o: Fstack.T90 basic_type.inc 616class_Fstack_Pair_SpData1D.o: class_Pair_SpData1D.o class_Pair_SpData1D.o 617class_Geometry.o: basic_type.inc 618class_Geometry.o: alloc.o 619class_OrbitalDistribution.o: basic_type.inc 620class_Pair_Data1D.o: Pair.T90 basic_type.inc 621class_Pair_Data1D.o: class_Data1D.o class_Data1D.o 622class_Pair_Geometry_SpData2D.o: Pair.T90 basic_type.inc 623class_Pair_Geometry_SpData2D.o: class_Geometry.o class_SpData2D.o 624class_Pair_SpData1D.o: Pair.T90 basic_type.inc 625class_Pair_SpData1D.o: class_SpData1D.o class_SpData1D.o 626class_SpData1D.o: class_SpData1D.T90 basic_type.inc 627class_SpData1D.o: class_Data1D.o class_Data1D.o class_Data1D.o class_Data1D.o 628class_SpData1D.o: class_Data1D.o class_Data1D.o class_OrbitalDistribution.o 629class_SpData1D.o: class_Sparsity.o 630class_SpData1D.o: basic_type.inc 631class_SpData1D.o: class_OrbitalDistribution.o class_Sparsity.o 632class_SpData2D.o: class_SpData2D.T90 basic_type.inc 633class_SpData2D.o: class_Data2D.o class_Data2D.o class_Data2D.o class_Data2D.o 634class_SpData2D.o: class_Data2D.o class_Data2D.o class_OrbitalDistribution.o 635class_SpData2D.o: class_Sparsity.o 636class_SpData2D.o: basic_type.inc 637class_SpData2D.o: class_OrbitalDistribution.o class_Sparsity.o 638class_Sparsity.o: basic_type.inc 639class_Sparsity.o: alloc.o 640class_TriMat.o: class_TriMat.T90 basic_type.inc 641class_TriMat.o: alloc.o intrinsic_missing.o 642class_TriMat.o: basic_type.inc 643class_TriMat.o: alloc.o intrinsic_missing.o 644coceri.o: files.o periodic_table.o precision.o units.o 645compute_dm.o: atomlist.o class_SpData1D.o compute_ebs_shift.o diagon.o 646compute_dm.o: iodmhs_netcdf.o kpoint_grid.o m_dminim.o m_energies.o m_eo.o 647compute_dm.o: m_hsx.o m_pexsi_driver.o m_rmaxh.o m_spin.o m_steps.o 648compute_dm.o: m_transiesta.o m_ts_global_vars.o m_zminim.o normalize_dm.o 649compute_dm.o: ordern.o parallel.o precision.o siesta_geom.o siesta_options.o 650compute_dm.o: sparse_matrices.o sys.o units.o 651compute_ebs_shift.o: m_mpi_utils.o parallel.o precision.o 652compute_energies.o: atomlist.o class_SpData1D.o class_SpData2D.o dhscf.o 653compute_energies.o: files.o m_dipol.o m_energies.o m_mpi_utils.o m_ntm.o 654compute_energies.o: m_rhog.o m_spin.o m_ts_global_vars.o precision.o 655compute_energies.o: siesta_geom.o siesta_options.o sparse_matrices.o 656compute_energies.o: ts_energies.o 657compute_max_diff.o: m_mpi_utils.o precision.o 658compute_norm.o: m_mpi_utils.o m_spin.o precision.o sparse_matrices.o 659compute_pw_matrix.o: alloc.o m_planewavematrix.o m_planewavematrixvar.o 660compute_pw_matrix.o: parallel.o precision.o siesta2wannier90.o 661compute_pw_matrix.o: sparse_matrices.o 662compute_rhog.o: alloc.o atomlist.o dhscf.o files.o m_dipol.o m_energies.o 663compute_rhog.o: m_ntm.o m_spin.o m_stress.o siesta_geom.o siesta_options.o 664compute_rhog.o: sparse_matrices.o 665conjgr.o: precision.o 666conjgr_old.o: precision.o 667coor.o: alloc.o parallel.o precision.o siesta_geom.o sys.o units.o zmatrix.o 668coxmol.o: files.o periodic_table.o precision.o units.o 669create_Sparsity_SC.o: class_Sparsity.o geom_helper.o intrinsic_missing.o 670create_Sparsity_Union.o: class_OrbitalDistribution.o class_Sparsity.o 671create_Sparsity_Union.o: m_region.o parallel.o precision.o 672debugmpi.o: parallel.o 673delk.o: alloc.o atm_types.o atmfuncs.o atomlist.o listsc.o 674delk.o: m_planewavematrixvar.o mesh.o meshdscf.o meshphi.o parallel.o 675delk.o: parallelsubs.o precision.o siesta_geom.o 676denmat.o: alloc.o globalise.o m_mpi_utils.o onmod.o precision.o 677denmatlomem.o: alloc.o globalise.o onmod.o precision.o 678densematrix.o: alloc.o precision.o 679detover.o: alloc.o linpack.o parallel.o parallelsubs.o precision.o 680dfscf.o: alloc.o atm_types.o atmfuncs.o atomlist.o listsc.o mesh.o meshdscf.o 681dfscf.o: meshphi.o parallel.o parallelsubs.o precision.o sys.o 682dftu.o: alloc.o atm_types.o atmfuncs.o compute_max_diff.o dftu_specs.o 683dftu.o: m_mpi_utils.o mneighb.o new_matel.o parallel.o parallelsubs.o 684dftu.o: precision.o radial.o 685dftu_specs.o: alloc.o atm_types.o atmparams.o atom.o atom_options.o 686dftu_specs.o: basis_specs.o basis_types.o interpolation.o m_cite.o parallel.o 687dftu_specs.o: precision.o pseudopotential.o radial.o sys.o units.o 688dhscf.o: alloc.o atmfuncs.o delk.o dfscf.o dipole.o doping_uniform.o files.o 689dhscf.o: forhar.o iogrid_netcdf.o m_charge_add.o m_efield.o m_hartree_add.o 690dhscf.o: m_iorho.o m_mesh_node.o m_ncdf_io.o m_ncdf_siesta.o 691dhscf.o: m_partial_charges.o m_rhog.o m_spin.o m_ts_electype.o 692dhscf.o: m_ts_global_vars.o m_ts_hartree.o m_ts_options.o m_ts_voltage.o mesh.o 693dhscf.o: meshdscf.o meshsubs.o moremeshsubs.o parallel.o parsing.o precision.o 694dhscf.o: rhofft.o rhoofd.o rhoofdsp.o siesta_options.o sys.o units.o vmat.o 695dhscf.o: vmatsp.o 696diag.o: alloc.o diag_option.o parallel.o precision.o sys.o 697diag2g.o: fermid.o intrinsic_missing.o parallel.o parallelsubs.o precision.o 698diag2g.o: sys.o writewave.o 699diag2k.o: fermid.o parallel.o parallelsubs.o precision.o sys.o writewave.o 700diag2kp.o: alloc.o fermid.o intrinsic_missing.o m_spin.o parallel.o 701diag2kp.o: parallelsubs.o precision.o sys.o 702diag2kspiral.o: fermid.o parallel.o parallelsubs.o precision.o sys.o 703diag3g.o: fermid.o intrinsic_missing.o parallel.o parallelsubs.o precision.o 704diag3g.o: sys.o writewave.o 705diag3k.o: fermid.o parallel.o parallelsubs.o precision.o sys.o writewave.o 706diag3kp.o: alloc.o fermid.o intrinsic_missing.o m_spin.o parallel.o 707diag3kp.o: parallelsubs.o precision.o sys.o 708diag_option.o: parallel.o precision.o 709diagg.o: alloc.o fermid.o intrinsic_missing.o m_spin.o parallel.o 710diagg.o: parallelsubs.o precision.o sys.o writewave.o 711diagk.o: compute_norm.o fermid.o m_spin.o parallel.o parallelsubs.o precision.o 712diagk.o: sys.o writewave.o 713diagk_file.o: fermid.o iowfs_netcdf.o parallel.o parallelsubs.o precision.o 714diagk_file.o: sys.o writewave.o 715diagkp.o: alloc.o fermid.o parallel.o parallelsubs.o precision.o sys.o 716diagon.o: alloc.o densematrix.o diag_option.o m_memory.o m_spin.o parallel.o 717diagon.o: parallelsubs.o precision.o siesta_options.o sys.o 718diagonalizeHk.o: alloc.o atomlist.o densematrix.o m_orderbands.o m_spin.o 719diagonalizeHk.o: parallel.o parallelsubs.o precision.o siesta2wannier90.o 720diagonalizeHk.o: sparse_matrices.o units.o 721diagpol.o: parallel.o precision.o sys.o 722die.o: parallel.o siesta_cml.o 723die.o: parallel.o 724dipole.o: atmfuncs.o intrinsic_missing.o m_char.o m_cite.o mesh.o parallel.o 725dipole.o: precision.o siesta_cml.o sys.o units.o 726dm_charge.o: class_OrbitalDistribution.o class_SpData1D.o class_SpData2D.o 727dm_charge.o: class_Sparsity.o m_mpi_utils.o m_spin.o precision.o 728dnaefs.o: atmfuncs.o mneighb.o precision.o 729domain_decom.o: alloc.o parallel.o precision.o printmatrix.o schecomm.o 730domain_decom.o: sparse_matrices.o sys.o 731doping_uniform.o: alloc.o m_ntm.o mesh.o parallel.o precision.o sys.o 732dynamics.o: alloc.o atomlist.o files.o ioxv.o m_mpi_utils.o parallel.o 733dynamics.o: precision.o sys.o units.o 734egandd.o: alloc.o denmat.o ener3.o globalise.o gradient.o on_subs.o onmod.o 735egandd.o: onmod.o precision.o sys.o 736eggbox.o: parallel.o precision.o 737electrostatic.o: atm_types.o atmfuncs.o atmparams.o bessph.o interpolation.o 738electrostatic.o: precision.o radfft.o radial.o sys.o 739ener3.o: alloc.o globalise.o m_mpi_utils.o onmod.o precision.o 740ener3lomem.o: alloc.o globalise.o m_mpi_utils.o onmod.o precision.o 741extrapolateSpData2D.o: class_Data2D.o class_OrbitalDistribution.o 742extrapolateSpData2D.o: class_SpData2D.o class_Sparsity.o restructSpData2D.o 743extrapolon.o: parallel.o precision.o sys.o 744fdf_extra.o: m_region.o 745fermid.o: errorf.o parallel.o precision.o sys.o 746fft.o: alloc.o fft1d.o m_timer.o mesh.o parallel.o parallelsubs.o precision.o 747fft.o: sys.o 748fft1d.o: parallel.o precision.o sys.o 749final_H_f_stress.o: alloc.o atomlist.o class_SpData1D.o class_SpData2D.o 750final_H_f_stress.o: compute_max_diff.o dftu.o dftu_specs.o dnaefs.o files.o 751final_H_f_stress.o: grdsam.o kinefsm.o m_dipol.o m_energies.o m_forces.o 752final_H_f_stress.o: m_hsx.o m_mpi_utils.o m_ncdf_siesta.o m_ntm.o m_spin.o 753final_H_f_stress.o: m_stress.o m_ts_io.o m_ts_kpoints.o m_ts_options.o 754final_H_f_stress.o: metaforce.o molecularmechanics.o naefs.o nlefsm.o overfsm.o 755final_H_f_stress.o: parallel.o siesta_geom.o siesta_options.o sparse_matrices.o 756final_H_f_stress.o: spinorbit.o sys.o units.o 757find_kgrid.o: alloc.o minvec.o parallel.o precision.o units.o 758fire_optim.o: alloc.o m_fire.o m_mpi_utils.o parallel.o precision.o 759fire_optim.o: siesta_options.o units.o 760flook_siesta.o: m_os.o parallel.o siesta_dicts.o siesta_geom.o siesta_options.o 761flook_siesta.o: sys.o 762forhar.o: alloc.o mesh.o moremeshsubs.o parallel.o precision.o 763fsiesta_mpi.o: precision.o siesta_analysis.o siesta_end.o siesta_forces.o 764fsiesta_mpi.o: siesta_init.o siesta_master.o siesta_move.o sys.o 765fsiesta_sockets.o: fsockets.o 766geom_helper.o: intrinsic_missing.o 767get_kpoints_scale.o: parallel.o siesta_geom.o units.o 768get_target_stress.o: parallel.o precision.o sys.o units.o 769globalise.o: alloc.o onmod.o onmod.o precision.o spatial.o 770gradient.o: alloc.o globalise.o m_mpi_utils.o onmod.o precision.o 771gradientlomem.o: alloc.o globalise.o onmod.o precision.o 772grdsam.o: alloc.o dhscf.o files.o m_mpi_utils.o m_partial_charges.o m_spin.o 773grdsam.o: parallel.o precision.o siesta_geom.o siesta_options.o sys.o units.o 774hsparse.o: alloc.o atm_types.o atmfuncs.o atomlist.o dftu_specs.o listsc.o 775hsparse.o: mneighb.o parallel.o parallelsubs.o precision.o radial.o sorting.o 776hsparse.o: sparse_matrices.o 777idiag.o: parallel.o sys.o 778init_output.o: files.o 779initatom.o: atmparams.o atom.o atom_options.o basis_io.o basis_specs.o 780initatom.o: basis_types.o chemical.o dftu_specs.o electrostatic.o m_spin.o 781initatom.o: old_atmfuncs.o precision.o pseudopotential.o 782initparallel.o: alloc.o class_OrbitalDistribution.o domain_decom.o parallel.o 783initparallel.o: parallelsubs.o precision.o siesta_options.o sparse_matrices.o 784initparallel.o: spatial.o sys.o 785io.o: m_io.o 786iocg.o: files.o precision.o sys.o 787iodm.o: alloc.o files.o parallel.o parallelsubs.o precision.o sys.o 788iodm_netcdf.o: alloc.o parallel.o parallelsubs.o precision.o sys.o 789iodmhs_netcdf.o: alloc.o parallel.o parallelsubs.o precision.o sys.o 790ioeig.o: files.o precision.o siesta_cml.o units.o 791iofa.o: files.o precision.o units.o 792iogrid_netcdf.o: alloc.o parallel.o precision.o sys.o 793iokp.o: files.o precision.o 794iolwf.o: alloc.o files.o onmod.o parallel.o parallelsubs.o precision.o sys.o 795iomd.o: files.o precision.o units.o 796iopipes.o: parallel.o precision.o sys.o 797iosockets.o: cellsubs.o fsockets.o m_mpi_utils.o parallel.o precision.o sys.o 798iowfs_netcdf.o: alloc.o parallel.o parallelsubs.o precision.o sys.o 799ioxv.o: files.o parallel.o precision.o 800iozm.o: files.o parallel.o precision.o siesta_geom.o zmatrix.o 801ipack.o: sys.o 802kgrid.o: parallel.o precision.o units.o 803kgridinit.o: minvec.o parallel.o precision.o sys.o units.o 804kinefsm.o: alloc.o atmfuncs.o mneighb.o new_matel.o parallel.o parallelsubs.o 805kinefsm.o: precision.o 806kpoint_convert.o: precision.o sys.o units.o 807kpoint_grid.o: find_kgrid.o m_spin.o minvec.o parallel.o precision.o 808kpoint_grid.o: siesta_cml.o siesta_options.o sys.o units.o 809kpoint_pdos.o: find_kgrid.o m_spin.o minvec.o parallel.o precision.o 810kpoint_pdos.o: siesta_options.o sys.o units.o 811ksv.o: alloc.o atmfuncs.o densematrix.o ksvinit.o parallel.o precision.o sys.o 812ksvinit.o: alloc.o parallel.o precision.o sys.o 813listsc.o: alloc.o 814local_DOS.o: atomlist.o dhscf.o diagon.o files.o kpoint_grid.o m_energies.o 815local_DOS.o: m_eo.o m_forces.o m_ntm.o m_partial_charges.o m_spin.o parallel.o 816local_DOS.o: siesta_geom.o siesta_options.o sparse_matrices.o sys.o 817m_broyddj.o: alloc.o m_mpi_utils.o parallel.o precision.o sys.o 818m_broyddj_nocomm.o: alloc.o parallel.o precision.o sys.o 819m_broyden_mixing.o: alloc.o m_broyddj.o m_mpi_utils.o parallel.o precision.o 820m_cell.o: precision.o siesta_geom.o units.o 821m_charge_add.o: intrinsic_missing.o m_cite.o m_geom_objects.o m_mesh_node.o 822m_charge_add.o: parallel.o precision.o units.o 823m_check_walltime.o: m_walltime.o 824m_digest_nnkp.o: alloc.o atomlist.o files.o m_mpi_utils.o m_noccbands.o 825m_digest_nnkp.o: m_spin.o m_trialorbitalclass.o parallel.o precision.o 826m_digest_nnkp.o: siesta_geom.o siesta_options.o sparse_matrices.o sys.o units.o 827m_diis.o: class_Data1D.o class_Fstack_Pair_Data1D.o class_Pair_Data1D.o m_svd.o 828m_diis.o: parallel.o precision.o 829m_dipol.o: precision.o 830m_dminim.o: densematrix.o files.o parallel.o parallelsubs.o precision.o 831m_dminim.o: siesta_options.o sys.o 832m_dscfcomm.o: alloc.o parallel.o parallelsubs.o precision.o schecomm.o 833m_efield.o: atmfuncs.o intrinsic_missing.o mesh.o parallel.o precision.o 834m_efield.o: siesta_cml.o siesta_geom.o sys.o units.o 835m_energies.o: m_ts_global_vars.o precision.o 836m_eo.o: precision.o 837m_exp_coord.o: files.o m_os.o parallel.o precision.o units.o 838m_filter.o: bessph.o precision.o radfft.o sys.o 839m_fire.o: parallel.o precision.o 840m_fire_mixing.o: alloc.o m_fire_para.o m_mpi_utils.o parallel.o precision.o 841m_fire_para.o: m_mpi_utils.o parallel.o precision.o 842m_fixed.o: fdf_extra.o intrinsic_missing.o m_region.o parallel.o precision.o 843m_forces.o: precision.o 844m_geom_box.o: intrinsic_missing.o m_geom_aux.o 845m_geom_coord.o: intrinsic_missing.o m_geom_aux.o parallel.o 846m_geom_objects.o: m_geom_aux.o m_geom_box.o m_geom_coord.o m_geom_plane.o 847m_geom_objects.o: m_geom_square.o 848m_geom_plane.o: intrinsic_missing.o m_geom_aux.o 849m_geom_square.o: intrinsic_missing.o m_geom_aux.o m_geom_plane.o 850m_getopts.o: f2kcli.o 851m_handle_sparse.o: class_Data2D.o class_OrbitalDistribution.o class_SpData1D.o 852m_handle_sparse.o: class_SpData2D.o class_Sparsity.o geom_helper.o m_iodm.o 853m_handle_sparse.o: m_os.o m_region.o m_ts_io.o parallel.o precision.o units.o 854m_hartree_add.o: intrinsic_missing.o m_cite.o m_geom_objects.o m_mesh_node.o 855m_hartree_add.o: parallel.o precision.o units.o 856m_hs_matrix.o: alloc.o cellsubs.o geom_helper.o precision.o sys.o 857m_hsx.o: atm_types.o atmfuncs.o atomlist.o files.o parallel.o parallelsubs.o 858m_hsx.o: precision.o siesta_geom.o sys.o 859m_integrate.o: precision.o 860m_io.o: sys.o 861m_io_s.o: class_OrbitalDistribution.o class_SpData1D.o class_SpData2D.o 862m_io_s.o: class_Sparsity.o parallel.o precision.o 863m_io_yaml.o: m_energies.o precision.o version.o 864m_iodm.o: class_OrbitalDistribution.o class_SpData2D.o class_Sparsity.o 865m_iodm.o: m_io_s.o m_os.o parallel.o 866m_iodm_old.o: alloc.o files.o m_matio.o m_mpi_utils.o parallel.o parallelsubs.o 867m_iodm_old.o: precision.o sparse_matrices.o sys.o 868m_iorho.o: alloc.o parallel.o parallelsubs.o precision.o sys.o 869m_iostruct.o: alloc.o files.o m_mpi_utils.o parallel.o precision.o 870m_iostruct.o: siesta_geom.o sys.o units.o 871m_kinetic.o: precision.o 872m_mat_invert.o: intrinsic_missing.o m_pivot_array.o precision.o 873m_matio.o: alloc.o parallel.o 874m_memory.o: memoryinfo.o parallel.o sys.o 875m_mesh_node.o: intrinsic_missing.o parallel.o precision.o units.o 876m_mixing.o: class_Data1D.o class_Fstack_Data1D.o parallel.o precision.o 877m_mixing_scf.o: class_Fstack_Data1D.o m_mixing.o parallel.o precision.o 878m_monitor.o: alloc.o class_OrbitalDistribution.o class_Sparsity.o geom_helper.o 879m_monitor.o: parallel.o precision.o 880m_mpi_utils.o: precision.o sys.o 881m_ncdf_io.o: class_OrbitalDistribution.o class_SpData1D.o class_SpData2D.o 882m_ncdf_io.o: class_Sparsity.o m_io_s.o parallel.o precision.o 883m_ncdf_siesta.o: atm_types.o atmparams.o atomlist.o class_Sparsity.o files.o 884m_ncdf_siesta.o: kpoint_grid.o m_energies.o m_forces.o m_ncdf_io.o m_spin.o 885m_ncdf_siesta.o: m_stress.o m_ts_electype.o m_ts_kpoints.o m_ts_options.o 886m_ncdf_siesta.o: parallel.o precision.o radial.o siesta_geom.o siesta_options.o 887m_ncdf_siesta.o: sparse_matrices.o timestamp.o 888m_new_dm.o: alloc.o atomlist.o class_Data2D.o class_Fstack_Data1D.o 889m_new_dm.o: class_Fstack_Pair_Geometry_SpData2D.o class_Geometry.o 890m_new_dm.o: class_OrbitalDistribution.o class_Pair_Geometry_SpData2D.o 891m_new_dm.o: class_SpData2D.o class_Sparsity.o files.o m_energies.o 892m_new_dm.o: m_handle_sparse.o m_iodm.o m_mixing.o m_mixing_scf.o m_spin.o 893m_new_dm.o: m_spin.o m_steps.o m_svd.o m_ts_electype.o m_ts_global_vars.o 894m_new_dm.o: m_ts_iodm.o m_ts_method.o m_ts_options.o parallel.o parsing.o 895m_new_dm.o: precision.o restructSpData2D.o siesta_geom.o siesta_options.o 896m_new_dm.o: sparse_matrices.o sys.o units.o 897m_noccbands.o: alloc.o atmfuncs.o m_spin.o parallel.o precision.o siesta_geom.o 898m_noccbands.o: sys.o 899m_options.o: precision.o 900m_orderbands.o: alloc.o parallel.o parallelsubs.o siesta2wannier90.o sys.o 901m_overkkneig.o: alloc.o atomlist.o m_orderbands.o parallel.o parallelsubs.o 902m_overkkneig.o: precision.o siesta_geom.o sparse_matrices.o 903m_partial_charges.o: atmfuncs.o atomlist.o mesh.o meshphi.o parallel.o 904m_partial_charges.o: precision.o siesta_geom.o siesta_options.o sys.o 905m_pexsi.o: precision.o 906m_pexsi_dos.o: alloc.o class_Distribution.o m_mpi_utils.o m_redist_spmatrix.o 907m_pexsi_dos.o: parallel.o precision.o units.o 908m_pexsi_driver.o: alloc.o class_Distribution.o extrae_module.o m_convergence.o 909m_pexsi_driver.o: m_mpi_utils.o m_pexsi.o m_redist_spmatrix.o parallel.o 910m_pexsi_driver.o: precision.o siesta_options.o units.o 911m_pexsi_local_dos.o: alloc.o atomlist.o class_Distribution.o dhscf.o files.o 912m_pexsi_local_dos.o: m_energies.o m_forces.o m_mpi_utils.o m_ntm.o 913m_pexsi_local_dos.o: m_redist_spmatrix.o m_spin.o parallel.o precision.o 914m_pexsi_local_dos.o: siesta_geom.o siesta_options.o sparse_matrices.o sys.o 915m_pexsi_local_dos.o: units.o 916m_pivot.o: class_Sparsity.o m_pivot_methods.o m_region.o 917m_pivot_methods.o: class_Sparsity.o m_region.o precision.o 918m_planewavematrix.o: atomlist.o dhscf.o m_planewavematrixvar.o precision.o 919m_planewavematrix.o: siesta_geom.o sparse_matrices.o 920m_planewavematrixvar.o: precision.o 921m_pulay.o: alloc.o atomlist.o m_mpi_utils.o m_spin.o m_svd.o parallel.o 922m_pulay.o: precision.o siesta_options.o sparse_matrices.o sys.o 923m_redist_spmatrix.o: alloc.o class_Distribution.o 924m_region.o: class_OrbitalDistribution.o class_Sparsity.o geom_helper.o 925m_region.o: intrinsic_missing.o 926m_rhog.o: alloc.o atomlist.o class_Data1D.o class_Fstack_Pair_Data1D.o 927m_rhog.o: class_Pair_Data1D.o m_diis.o m_mpi_utils.o m_spin.o parallel.o 928m_rhog.o: precision.o siesta_options.o sorting.o 929m_rmaxh.o: precision.o 930m_sparse.o: alloc.o class_OrbitalDistribution.o class_SpData2D.o 931m_sparse.o: class_Sparsity.o geom_helper.o intrinsic_missing.o parallel.o 932m_sparse.o: precision.o 933m_sparsity_handling.o: class_Data1D.o class_Data2D.o 934m_sparsity_handling.o: class_OrbitalDistribution.o class_SpData1D.o 935m_sparsity_handling.o: class_SpData2D.o class_Sparsity.o geom_helper.o 936m_sparsity_handling.o: intrinsic_missing.o m_interpolate.o m_region.o 937m_sparsity_handling.o: precision.o 938m_spin.o: alloc.o get_kpoints_scale.o m_cite.o parallel.o precision.o sys.o 939m_stress.o: precision.o 940m_supercell.o: atom_graph.o class_OrbitalDistribution.o class_SpData2D.o 941m_supercell.o: parallel.o parallelsubs.o precision.o 942m_svd.o: precision.o 943m_target_stress.o: parallel.o precision.o sys.o units.o 944m_test_io.o: class_SpData2D.o class_Sparsity.o m_iodm.o m_matio.o parallel.o 945m_test_io.o: precision.o 946m_timer.o: m_io.o m_walltime.o moreParallelSubs.o parallel.o precision.o sys.o 947m_transiesta.o: alloc.o class_OrbitalDistribution.o class_SpData1D.o 948m_transiesta.o: class_SpData2D.o class_Sparsity.o files.o m_energies.o 949m_transiesta.o: m_interpolate.o m_os.o m_ts_contour_eq.o m_ts_contour_neq.o 950m_transiesta.o: m_ts_electype.o m_ts_fullg.o m_ts_fullk.o m_ts_gf.o 951m_transiesta.o: m_ts_kpoints.o m_ts_method.o m_ts_mumpsg.o m_ts_mumpsk.o 952m_transiesta.o: m_ts_options.o m_ts_sparse.o m_ts_tri_common.o m_ts_tri_init.o 953m_transiesta.o: m_ts_trig.o m_ts_trik.o parallel.o precision.o ts_charge.o 954m_transiesta.o: ts_dq.o units.o 955m_trialorbitalclass.o: precision.o units.o 956m_trimat_invert.o: class_TriMat.o intrinsic_missing.o m_pivot_array.o 957m_trimat_invert.o: precision.o 958m_ts_aux.o: precision.o 959m_ts_cctype.o: m_gauss_fermi_inf.o m_ts_io_ctype.o precision.o 960m_ts_chem_pot.o: m_ts_cctype.o m_ts_io_ctype.o parallel.o precision.o units.o 961m_ts_contour.o: m_ts_cctype.o m_ts_chem_pot.o m_ts_contour_eq.o 962m_ts_contour.o: m_ts_contour_neq.o m_ts_electype.o m_ts_io_contour.o 963m_ts_contour.o: precision.o 964m_ts_contour_eq.o: m_gauss_fermi_17.o m_gauss_fermi_18.o m_gauss_fermi_19.o 965m_ts_contour_eq.o: m_gauss_fermi_20.o m_gauss_fermi_22.o m_gauss_fermi_24.o 966m_ts_contour_eq.o: m_gauss_fermi_26.o m_gauss_fermi_28.o m_gauss_fermi_30.o 967m_ts_contour_eq.o: m_gauss_fermi_inf.o m_gauss_quad.o m_integrate.o m_io.o 968m_ts_contour_eq.o: m_ts_aux.o m_ts_cctype.o m_ts_chem_pot.o m_ts_electype.o 969m_ts_contour_eq.o: m_ts_io_contour.o m_ts_io_ctype.o parallel.o precision.o 970m_ts_contour_eq.o: units.o 971m_ts_contour_neq.o: m_gauss_quad.o m_integrate.o m_io.o m_ts_aux.o 972m_ts_contour_neq.o: m_ts_cctype.o m_ts_chem_pot.o m_ts_electype.o 973m_ts_contour_neq.o: m_ts_io_contour.o m_ts_io_ctype.o parallel.o precision.o 974m_ts_contour_neq.o: units.o 975m_ts_debug.o: class_Sparsity.o class_TriMat.o geom_helper.o parallel.o 976m_ts_debug.o: precision.o 977m_ts_dm_update.o: class_OrbitalDistribution.o class_SpData1D.o class_SpData2D.o 978m_ts_dm_update.o: class_SpData2D.o class_Sparsity.o geom_helper.o 979m_ts_dm_update.o: intrinsic_missing.o precision.o 980m_ts_elec_se.o: intrinsic_missing.o m_ts_cctype.o m_ts_electype.o precision.o 981m_ts_elec_se.o: units.o 982m_ts_electrode.o: alloc.o class_SpData1D.o class_SpData2D.o class_Sparsity.o 983m_ts_electrode.o: geom_helper.o intrinsic_missing.o m_iterator.o m_mat_invert.o 984m_ts_electrode.o: m_pivot_array.o m_ts_elec_se.o m_ts_electype.o parallel.o 985m_ts_electrode.o: precision.o sys.o units.o 986m_ts_electype.o: bloch_unfold.o class_OrbitalDistribution.o class_SpData1D.o 987m_ts_electype.o: class_SpData2D.o class_Sparsity.o create_Sparsity_SC.o 988m_ts_electype.o: geom_helper.o intrinsic_missing.o m_char.o m_geom_box.o 989m_ts_electype.o: m_handle_sparse.o m_iodm.o m_os.o m_region.o m_ts_chem_pot.o 990m_ts_electype.o: m_ts_io.o m_ts_io_ctype.o m_ts_iodm.o parallel.o precision.o 991m_ts_electype.o: units.o 992m_ts_full_scat.o: intrinsic_missing.o m_ts_cctype.o m_ts_electype.o 993m_ts_full_scat.o: m_ts_method.o precision.o 994m_ts_fullg.o: alloc.o class_OrbitalDistribution.o class_SpData1D.o 995m_ts_fullg.o: class_SpData2D.o class_Sparsity.o intrinsic_missing.o 996m_ts_fullg.o: m_iterator.o m_ts_cctype.o m_ts_contour_eq.o m_ts_contour_neq.o 997m_ts_fullg.o: m_ts_debug.o m_ts_dm_update.o m_ts_elec_se.o m_ts_electype.o 998m_ts_fullg.o: m_ts_full_scat.o m_ts_gf.o m_ts_method.o m_ts_options.o 999m_ts_fullg.o: m_ts_sparse.o m_ts_sparse_helper.o m_ts_weight.o parallel.o 1000m_ts_fullg.o: precision.o ts_dq.o units.o 1001m_ts_fullk.o: alloc.o class_OrbitalDistribution.o class_SpData1D.o 1002m_ts_fullk.o: class_SpData2D.o class_SpData2D.o class_Sparsity.o 1003m_ts_fullk.o: intrinsic_missing.o m_iterator.o m_ts_cctype.o m_ts_contour_eq.o 1004m_ts_fullk.o: m_ts_contour_neq.o m_ts_debug.o m_ts_dm_update.o m_ts_elec_se.o 1005m_ts_fullk.o: m_ts_electype.o m_ts_full_scat.o m_ts_gf.o m_ts_kpoints.o 1006m_ts_fullk.o: m_ts_method.o m_ts_options.o m_ts_sparse.o m_ts_sparse_helper.o 1007m_ts_fullk.o: m_ts_weight.o parallel.o precision.o ts_dq.o units.o 1008m_ts_gf.o: m_os.o m_ts_cctype.o m_ts_contour_eq.o m_ts_contour_neq.o 1009m_ts_gf.o: m_ts_electrode.o m_ts_electype.o parallel.o precision.o sys.o 1010m_ts_gf.o: units.o 1011m_ts_global_vars.o: densematrix.o parallel.o 1012m_ts_hartree.o: m_mesh_node.o m_ts_tdir.o parallel.o precision.o units.o 1013m_ts_io.o: alloc.o class_OrbitalDistribution.o class_SpData1D.o 1014m_ts_io.o: class_SpData2D.o class_Sparsity.o geom_helper.o m_io_s.o m_ncdf_io.o 1015m_ts_io.o: m_os.o m_sparse.o parallel.o precision.o sys.o 1016m_ts_io_contour.o: precision.o units.o 1017m_ts_io_ctype.o: m_io.o parallel.o precision.o units.o 1018m_ts_iodm.o: class_OrbitalDistribution.o class_SpData2D.o class_Sparsity.o 1019m_ts_iodm.o: m_io_s.o m_os.o parallel.o precision.o 1020m_ts_kpoints.o: files.o find_kgrid.o kpoint_grid.o m_ts_global_vars.o 1021m_ts_kpoints.o: m_ts_tdir.o minvec.o parallel.o precision.o siesta_cml.o 1022m_ts_kpoints.o: siesta_options.o sys.o 1023m_ts_method.o: alloc.o fdf_extra.o geom_helper.o m_region.o m_ts_electype.o 1024m_ts_mumps_init.o: class_OrbitalDistribution.o class_Sparsity.o 1025m_ts_mumps_init.o: create_Sparsity_Union.o m_ts_elec_se.o m_ts_electype.o 1026m_ts_mumps_init.o: m_ts_method.o m_ts_sparse.o precision.o 1027m_ts_mumps_scat.o: m_ts_electype.o precision.o 1028m_ts_mumpsg.o: alloc.o class_OrbitalDistribution.o class_SpData1D.o 1029m_ts_mumpsg.o: class_SpData2D.o class_Sparsity.o intrinsic_missing.o 1030m_ts_mumpsg.o: m_iterator.o m_ts_cctype.o m_ts_contour_eq.o m_ts_contour_neq.o 1031m_ts_mumpsg.o: m_ts_debug.o m_ts_dm_update.o m_ts_elec_se.o m_ts_electype.o 1032m_ts_mumpsg.o: m_ts_gf.o m_ts_method.o m_ts_mumps_init.o m_ts_mumps_scat.o 1033m_ts_mumpsg.o: m_ts_options.o m_ts_sparse.o m_ts_sparse_helper.o m_ts_weight.o 1034m_ts_mumpsg.o: parallel.o precision.o ts_dq.o units.o 1035m_ts_mumpsk.o: alloc.o class_OrbitalDistribution.o class_SpData1D.o 1036m_ts_mumpsk.o: class_SpData2D.o class_SpData2D.o class_Sparsity.o 1037m_ts_mumpsk.o: intrinsic_missing.o m_iterator.o m_ts_cctype.o m_ts_contour_eq.o 1038m_ts_mumpsk.o: m_ts_contour_neq.o m_ts_debug.o m_ts_dm_update.o m_ts_elec_se.o 1039m_ts_mumpsk.o: m_ts_electype.o m_ts_gf.o m_ts_kpoints.o m_ts_method.o 1040m_ts_mumpsk.o: m_ts_mumps_init.o m_ts_mumps_scat.o m_ts_options.o m_ts_sparse.o 1041m_ts_mumpsk.o: m_ts_sparse_helper.o m_ts_weight.o parallel.o precision.o 1042m_ts_mumpsk.o: ts_dq.o units.o 1043m_ts_options.o: atomlist.o files.o intrinsic_missing.o m_cite.o m_mixing.o 1044m_ts_options.o: m_mixing_scf.o m_os.o m_ts_chem_pot.o m_ts_contour.o 1045m_ts_options.o: m_ts_contour_eq.o m_ts_contour_neq.o m_ts_electype.o 1046m_ts_options.o: m_ts_global_vars.o m_ts_hartree.o m_ts_method.o 1047m_ts_options.o: m_ts_mumps_init.o m_ts_tdir.o m_ts_weight.o parallel.o 1048m_ts_options.o: precision.o siesta_options.o ts_dq.o units.o 1049m_ts_pivot.o: alloc.o class_OrbitalDistribution.o class_Sparsity.o 1050m_ts_pivot.o: create_Sparsity_Union.o geom_helper.o intrinsic_missing.o 1051m_ts_pivot.o: m_char.o m_pivot.o m_region.o m_sparsity_handling.o m_ts_debug.o 1052m_ts_pivot.o: m_ts_electype.o parallel.o precision.o 1053m_ts_rgn2trimat.o: alloc.o class_OrbitalDistribution.o class_Sparsity.o 1054m_ts_rgn2trimat.o: create_Sparsity_Union.o geom_helper.o m_region.o 1055m_ts_rgn2trimat.o: m_ts_electype.o m_ts_method.o m_ts_tri_common.o parallel.o 1056m_ts_rgn2trimat.o: precision.o 1057m_ts_sparse.o: alloc.o class_OrbitalDistribution.o class_SpData1D.o 1058m_ts_sparse.o: class_Sparsity.o create_Sparsity_SC.o geom_helper.o 1059m_ts_sparse.o: intrinsic_missing.o m_region.o m_sparsity_handling.o 1060m_ts_sparse.o: m_ts_debug.o m_ts_electype.o m_ts_method.o parallel.o 1061m_ts_sparse.o: precision.o 1062m_ts_sparse_helper.o: class_OrbitalDistribution.o class_SpData1D.o 1063m_ts_sparse_helper.o: class_SpData1D.o class_SpData2D.o class_SpData2D.o 1064m_ts_sparse_helper.o: class_Sparsity.o geom_helper.o intrinsic_missing.o 1065m_ts_sparse_helper.o: m_region.o m_ts_electype.o m_ts_method.o precision.o 1066m_ts_tri_common.o: intrinsic_missing.o m_region.o m_ts_electype.o precision.o 1067m_ts_tri_init.o: alloc.o class_OrbitalDistribution.o class_Sparsity.o 1068m_ts_tri_init.o: create_Sparsity_SC.o create_Sparsity_Union.o fdf_extra.o 1069m_ts_tri_init.o: m_pivot.o m_pivot_methods.o m_region.o m_sparsity_handling.o 1070m_ts_tri_init.o: m_ts_debug.o m_ts_electype.o m_ts_method.o m_ts_pivot.o 1071m_ts_tri_init.o: m_ts_rgn2trimat.o m_ts_sparse.o m_ts_tri_common.o parallel.o 1072m_ts_tri_init.o: precision.o 1073m_ts_tri_scat.o: alloc.o class_TriMat.o m_region.o m_trimat_invert.o 1074m_ts_tri_scat.o: m_ts_electype.o m_ts_method.o m_ts_trimat_invert.o precision.o 1075m_ts_trig.o: alloc.o class_OrbitalDistribution.o class_SpData1D.o 1076m_ts_trig.o: class_SpData2D.o class_Sparsity.o class_TriMat.o 1077m_ts_trig.o: intrinsic_missing.o m_iterator.o m_mat_invert.o m_region.o 1078m_ts_trig.o: m_trimat_invert.o m_ts_cctype.o m_ts_contour_eq.o 1079m_ts_trig.o: m_ts_contour_neq.o m_ts_debug.o m_ts_dm_update.o m_ts_elec_se.o 1080m_ts_trig.o: m_ts_electype.o m_ts_gf.o m_ts_method.o m_ts_options.o 1081m_ts_trig.o: m_ts_sparse.o m_ts_sparse_helper.o m_ts_tri_common.o 1082m_ts_trig.o: m_ts_tri_init.o m_ts_tri_scat.o m_ts_trimat_invert.o m_ts_weight.o 1083m_ts_trig.o: parallel.o precision.o ts_dq.o units.o 1084m_ts_trik.o: alloc.o class_OrbitalDistribution.o class_SpData1D.o 1085m_ts_trik.o: class_SpData2D.o class_SpData2D.o class_Sparsity.o class_TriMat.o 1086m_ts_trik.o: intrinsic_missing.o m_iterator.o m_mat_invert.o m_region.o 1087m_ts_trik.o: m_trimat_invert.o m_ts_cctype.o m_ts_contour_eq.o 1088m_ts_trik.o: m_ts_contour_neq.o m_ts_debug.o m_ts_dm_update.o m_ts_elec_se.o 1089m_ts_trik.o: m_ts_electype.o m_ts_gf.o m_ts_kpoints.o m_ts_method.o 1090m_ts_trik.o: m_ts_options.o m_ts_sparse.o m_ts_sparse_helper.o 1091m_ts_trik.o: m_ts_tri_common.o m_ts_tri_init.o m_ts_tri_scat.o 1092m_ts_trik.o: m_ts_trimat_invert.o m_ts_weight.o parallel.o precision.o ts_dq.o 1093m_ts_trik.o: units.o 1094m_ts_trimat_invert.o: class_TriMat.o m_pivot_array.o m_region.o 1095m_ts_trimat_invert.o: m_trimat_invert.o m_ts_electype.o m_ts_method.o 1096m_ts_trimat_invert.o: precision.o 1097m_ts_voltage.o: iogrid_netcdf.o m_geom_box.o m_mesh_node.o m_ncdf_io.o 1098m_ts_voltage.o: m_ts_electype.o m_ts_options.o m_ts_tdir.o parallel.o 1099m_ts_voltage.o: precision.o units.o 1100m_ts_weight.o: class_OrbitalDistribution.o class_SpData2D.o class_Sparsity.o 1101m_ts_weight.o: geom_helper.o intrinsic_missing.o m_ts_chem_pot.o 1102m_ts_weight.o: m_ts_contour_neq.o m_ts_electype.o parallel.o precision.o 1103m_ts_weight.o: units.o 1104m_wallclock.o: m_walltime.o 1105m_writedelk.o: atm_types.o atmfuncs.o atomlist.o files.o parallel.o 1106m_writedelk.o: parallelsubs.o precision.o siesta_geom.o sys.o 1107m_zminim.o: files.o parallel.o parallelsubs.o precision.o siesta_options.o 1108m_zminim.o: sys.o 1109madelung.o: parallel.o precision.o sys.o 1110matel_registry.o: m_trialorbitalclass.o precision.o radial.o spher_harm.o sys.o 1111md_out.o: files.o m_energies.o precision.o sys.o units.o 1112memory.o: alloc.o memoryinfo.o parallel.o precision.o 1113memory_all.o: rusage.o 1114memory_snapshot.o: rusage.o 1115memoryinfo.o: precision.o 1116mesh.o: precision.o 1117meshcomm.o: mesh.o precision.o 1118meshdscf.o: alloc.o atomlist.o m_dscfcomm.o meshphi.o parallel.o parallelsubs.o 1119meshdscf.o: precision.o 1120meshphi.o: alloc.o precision.o 1121meshsubs.o: alloc.o atm_types.o atmfuncs.o cellsubs.o chkgmx.o fft1d.o mesh.o 1122meshsubs.o: meshphi.o moremeshsubs.o parallel.o parallelsubs.o precision.o 1123meshsubs.o: radial.o siesta_cml.o sys.o 1124metaforce.o: alloc.o parallel.o precision.o sys.o 1125minvec.o: cellsubs.o precision.o sorting.o sys.o 1126mixer.o: atomlist.o m_mixing.o m_mixing_scf.o m_spin.o parallel.o precision.o 1127mixer.o: siesta_geom.o siesta_options.o sparse_matrices.o 1128mmn.o: alloc.o atomlist.o m_digest_nnkp.o m_noccbands.o m_planewavematrixvar.o 1129mmn.o: parallel.o precision.o siesta2wannier90.o siesta_geom.o 1130mmn.o: sparse_matrices.o 1131mneighb.o: alloc.o precision.o sys.o 1132molecularmechanics.o: alloc.o parallel.o precision.o sys.o units.o 1133moments.o: atmfuncs.o parallel.o parallelsubs.o precision.o spinorbit.o 1134moreParallelSubs.o: alloc.o m_io.o parallel.o precision.o sys.o 1135moremeshsubs.o: alloc.o mesh.o parallel.o precision.o schecomm.o sys.o 1136mulliken.o: alloc.o atmfuncs.o m_spin.o parallel.o parallelsubs.o precision.o 1137mulliken.o: siesta_cml.o 1138naefs.o: atmfuncs.o mneighb.o new_matel.o precision.o 1139new_matel.o: alloc.o errorf.o interpolation.o matel_registry.o parallel.o 1140new_matel.o: precision.o radfft.o siesta_options.o spher_harm.o sys.o 1141nlefsm.o: alloc.o atm_types.o atmfuncs.o atomlist.o chemical.o mneighb.o 1142nlefsm.o: new_matel.o parallel.o parallelsubs.o precision.o 1143normalize_dm.o: atomlist.o m_mpi_utils.o m_spin.o parallel.o precision.o 1144normalize_dm.o: siesta_options.o sparse_matrices.o sys.o 1145obc.o: alloc.o precision.o 1146ofc.o: alloc.o files.o precision.o units.o 1147old_atmfuncs.o: alloc.o atmparams.o precision.o sys.o 1148on_subs.o: alloc.o onmod.o onmod.o 1149onmod.o: precision.o 1150optical.o: alloc.o atomlist.o densematrix.o fermid.o files.o parallel.o 1151optical.o: parallelsubs.o precision.o sys.o units.o 1152ordern.o: alloc.o cgwf.o chempot.o globalise.o m_mpi_utils.o onmod.o parallel.o 1153ordern.o: precision.o siesta_cml.o sys.o units.o 1154outcell.o: precision.o siesta_cml.o units.o 1155outcoor.o: alloc.o atmfuncs.o precision.o siesta_geom.o sys.o units.o 1156overfsm.o: alloc.o atmfuncs.o m_spin.o mneighb.o new_matel.o parallel.o 1157overfsm.o: parallelsubs.o precision.o 1158overlap.o: alloc.o atmfuncs.o atomlist.o m_iodm_old.o m_matio.o mneighb.o 1159overlap.o: new_matel.o parallel.o parallelsubs.o precision.o 1160parallelsubs.o: domain_decom.o parallel.o spatial.o sys.o 1161pdos.o: alloc.o atmfuncs.o atomlist.o densematrix.o diag_option.o files.o 1162pdos.o: m_energies.o m_spin.o parallel.o parallelsubs.o precision.o 1163pdos.o: siesta_geom.o units.o xml.o 1164pdos2g.o: alloc.o parallel.o parallelsubs.o precision.o sys.o units.o 1165pdos2k.o: alloc.o parallel.o parallelsubs.o precision.o sys.o units.o 1166pdos3g.o: alloc.o parallel.o parallelsubs.o precision.o sys.o units.o 1167pdos3k.o: alloc.o parallel.o parallelsubs.o precision.o sys.o units.o 1168pdosg.o: alloc.o parallel.o parallelsubs.o precision.o sys.o units.o 1169pdosk.o: alloc.o parallel.o parallelsubs.o precision.o sys.o units.o 1170pdoskp.o: alloc.o parallel.o parallelsubs.o precision.o sys.o units.o 1171periodic_table.o: precision.o sys.o 1172phirphi.o: alloc.o atmfuncs.o mneighb.o new_matel.o parallel.o parallelsubs.o 1173phirphi.o: precision.o 1174phirphi_opt.o: alloc.o atm_types.o atmfuncs.o atmparams.o mneighb.o new_matel.o 1175phirphi_opt.o: parallel.o parallelsubs.o precision.o spher_harm.o sys.o 1176pixmol.o: files.o periodic_table.o precision.o units.o 1177plcharge.o: files.o old_atmfuncs.o parallel.o precision.o 1178poison.o: alloc.o cellsubs.o chkgmx.o fft.o parallel.o precision.o sys.o 1179post_scf_work.o: atomlist.o class_Fstack_Pair_Geometry_SpData2D.o 1180post_scf_work.o: class_Geometry.o class_Pair_Geometry_SpData2D.o compute_dm.o 1181post_scf_work.o: diagon.o final_H_f_stress.o kpoint_grid.o m_dminim.o 1182post_scf_work.o: m_energies.o m_eo.o m_spin.o m_steps.o m_zminim.o mneighb.o 1183post_scf_work.o: parallel.o siesta_geom.o siesta_options.o sparse_matrices.o 1184print_spin.o: atomlist.o m_mpi_utils.o m_spin.o parallel.o precision.o 1185print_spin.o: siesta_cml.o sparse_matrices.o 1186printmatrix.o: alloc.o 1187projected_DOS.o: alloc.o atomlist.o kpoint_grid.o kpoint_pdos.o m_eo.o m_spin.o 1188projected_DOS.o: parallel.o precision.o siesta_geom.o siesta_options.o 1189projected_DOS.o: sparse_matrices.o sys.o units.o 1190propor.o: precision.o sys.o 1191proximity_check.o: chemical.o m_ts_global_vars.o mneighb.o parallel.o 1192proximity_check.o: precision.o siesta_geom.o siesta_options.o units.o 1193pseudopotential.o: alloc.o atom_options.o interpolation.o precision.o sys.o 1194radfft.o: alloc.o bessph.o m_fft_gpfa.o precision.o 1195radial.o: alloc.o interpolation.o precision.o xml.o 1196read_options.o: files.o m_charge_add.o m_cite.o m_hartree_add.o m_mixing_scf.o 1197read_options.o: m_spin.o m_target_stress.o parallel.o precision.o siesta_cml.o 1198read_options.o: siesta_options.o sys.o units.o 1199read_xc_info.o: parallel.o precision.o sys.o 1200redcel.o: parallel.o precision.o sys.o 1201register_rfs.o: atm_types.o atmfuncs.o matel_registry.o parallel.o precision.o 1202register_rfs.o: radial.o 1203reinit.o: files.o parallel.o siesta_master.o sys.o 1204remove_intramol_pressure.o: precision.o zmatrix.o 1205reoptical.o: m_spin.o parallel.o precision.o sys.o 1206reord.o: alloc.o precision.o 1207reordpsi.o: alloc.o m_orderbands.o parallel.o parallelsubs.o precision.o 1208reordpsi.o: siesta2wannier90.o 1209restructSpData2D.o: class_Data2D.o class_OrbitalDistribution.o class_SpData2D.o 1210restructSpData2D.o: class_Sparsity.o 1211rhofft.o: cellsubs.o fft.o precision.o sys.o 1212rhooda.o: atmfuncs.o atomlist.o mesh.o meshphi.o precision.o 1213rhoofd.o: alloc.o atm_types.o atmfuncs.o atomlist.o listsc.o m_spin.o mesh.o 1214rhoofd.o: meshdscf.o meshphi.o parallel.o parallelsubs.o precision.o sys.o 1215rhoofdsp.o: alloc.o atm_types.o atmfuncs.o atomlist.o listsc.o mesh.o 1216rhoofdsp.o: meshdscf.o meshphi.o parallel.o precision.o sys.o 1217save_density_matrix.o: atomlist.o class_SpData2D.o files.o iodm_netcdf.o 1218save_density_matrix.o: m_energies.o m_iodm.o m_matio.o m_ncdf_siesta.o m_spin.o 1219save_density_matrix.o: m_steps.o m_ts_global_vars.o m_ts_iodm.o m_ts_options.o 1220save_density_matrix.o: precision.o siesta_geom.o siesta_options.o 1221save_density_matrix.o: sparse_matrices.o 1222savepsi.o: alloc.o parallel.o parallelsubs.o precision.o 1223scfconvergence_test.o: atomlist.o dftu.o dftu_specs.o m_convergence.o 1224scfconvergence_test.o: m_energies.o m_spin.o m_ts_global_vars.o m_ts_options.o 1225scfconvergence_test.o: m_wallclock.o parallel.o precision.o siesta_cml.o 1226scfconvergence_test.o: siesta_geom.o siesta_options.o sparse_matrices.o units.o 1227scfconvergence_test.o: write_subs.o 1228schecomm.o: alloc.o 1229setatomnodes.o: alloc.o parallel.o precision.o spatial.o sys.o 1230setspatial.o: alloc.o parallel.o precision.o spatial.o 1231setup_H0.o: alloc.o atmfuncs.o atomlist.o class_SpData1D.o class_SpData2D.o 1232setup_H0.o: dhscf.o dnaefs.o kinefsm.o m_energies.o m_mpi_utils.o m_ntm.o 1233setup_H0.o: m_spin.o metaforce.o molecularmechanics.o naefs.o nlefsm.o 1234setup_H0.o: siesta_geom.o siesta_options.o sparse_matrices.o spinorbit.o 1235setup_hamiltonian.o: alloc.o atmfuncs.o atomlist.o class_SpData1D.o 1236setup_hamiltonian.o: class_SpData2D.o dftu.o dftu_specs.o dhscf.o files.o 1237setup_hamiltonian.o: m_dipol.o m_energies.o m_hsx.o m_mpi_utils.o m_ntm.o 1238setup_hamiltonian.o: m_partial_charges.o m_rhog.o m_spin.o m_steps.o m_stress.o 1239setup_hamiltonian.o: metaforce.o molecularmechanics.o parallel.o siesta_geom.o 1240setup_hamiltonian.o: siesta_options.o sparse_matrices.o sys.o 1241setup_ordern_indexes.o: alloc.o domain_decom.o parallel.o spatial.o 1242shaper.o: atmfuncs.o mneighb.o precision.o 1243show_distribution.o: atomlist.o parallel.o parallelsubs.o siesta_geom.o sys.o 1244siesta.o: alloc.o extrae_module.o m_io_yaml.o m_mpi_utils.o m_steps.o 1245siesta.o: parallel.o siesta_analysis.o siesta_end.o siesta_forces.o 1246siesta.o: siesta_init.o siesta_move.o 1247siesta2wannier90.o: files.o m_digest_nnkp.o m_spin.o m_trialorbitalclass.o 1248siesta2wannier90.o: parallel.o precision.o siesta_options.o sys.o 1249siesta_analysis.o: alloc.o atomlist.o bands.o basis_enthalpy.o dhscf.o files.o 1250siesta_analysis.o: flook_siesta.o kpoint_grid.o ksv.o ksvinit.o local_DOS.o 1251siesta_analysis.o: m_dipol.o m_energies.o m_eo.o m_forces.o m_iodm_old.o 1252siesta_analysis.o: m_mpi_utils.o m_ntm.o m_partial_charges.o m_pexsi_dos.o 1253siesta_analysis.o: m_pexsi_local_dos.o m_spin.o m_steps.o m_ts_global_vars.o 1254siesta_analysis.o: parallel.o projected_DOS.o siesta2wannier90.o siesta_cml.o 1255siesta_analysis.o: siesta_geom.o siesta_options.o sparse_matrices.o units.o 1256siesta_analysis.o: write_subs.o writewave.o zmatrix.o 1257siesta_cmlsubs.o: files.o m_uuid.o parallel.o siesta_cml.o timestamp.o 1258siesta_cmlsubs.o: 1259siesta_dicts.o: atomlist.o class_SpData1D.o files.o kpoint_grid.o m_energies.o 1260siesta_dicts.o: m_forces.o m_mixing_scf.o m_steps.o m_stress.o precision.o 1261siesta_dicts.o: siesta_geom.o siesta_options.o sparse_matrices.o 1262siesta_end.o: alloc.o atomlist.o bands.o densematrix.o diag.o 1263siesta_end.o: extrae_eventllist.o flook_siesta.o listsc.o m_cite.o m_dscfcomm.o 1264siesta_end.o: m_fixed.o m_io.o m_mixing_scf.o m_rhog.o m_wallclock.o meshdscf.o 1265siesta_end.o: meshphi.o moremeshsubs.o new_matel.o parallel.o precision.o 1266siesta_end.o: siesta_cml.o siesta_cmlsubs.o siesta_master.o siesta_options.o 1267siesta_end.o: sparse_matrices.o timestamp.o 1268siesta_forces.o: atomlist.o class_Fstack_Data1D.o class_SpData2D.o compute_dm.o 1269siesta_forces.o: compute_energies.o compute_max_diff.o densematrix.o 1270siesta_forces.o: dm_charge.o files.o final_H_f_stress.o flook_siesta.o 1271siesta_forces.o: kpoint_grid.o m_check_walltime.o m_convergence.o m_energies.o 1272siesta_forces.o: m_forces.o m_iodm_old.o m_mixing.o m_mixing_scf.o 1273siesta_forces.o: m_mpi_utils.o m_ncdf_siesta.o m_pexsi.o m_pexsi_driver.o 1274siesta_forces.o: m_rhog.o m_spin.o m_steps.o m_stress.o m_transiesta.o 1275siesta_forces.o: m_ts_electype.o m_ts_global_vars.o m_ts_method.o 1276siesta_forces.o: m_ts_options.o mixer.o parallel.o post_scf_work.o precision.o 1277siesta_forces.o: save_density_matrix.o scfconvergence_test.o setup_H0.o 1278siesta_forces.o: setup_hamiltonian.o siesta_cml.o siesta_dicts.o siesta_geom.o 1279siesta_forces.o: siesta_master.o siesta_options.o sparse_matrices.o 1280siesta_forces.o: state_analysis.o state_init.o sys.o timer.o ts_dq.o units.o 1281siesta_forces.o: write_subs.o 1282siesta_geom.o: precision.o 1283siesta_init.o: alloc.o atomlist.o bands.o class_Fstack_Pair_Geometry_SpData2D.o 1284siesta_init.o: diag_option.o files.o flook_siesta.o ioxv.o kpoint_grid.o 1285siesta_init.o: kpoint_pdos.o ksvinit.o m_check_walltime.o m_cite.o m_energies.o 1286siesta_init.o: m_eo.o m_fixed.o m_forces.o m_iostruct.o m_mpi_utils.o 1287siesta_init.o: m_new_dm.o m_rmaxh.o m_spin.o m_steps.o m_supercell.o m_timer.o 1288siesta_init.o: m_wallclock.o metaforce.o molecularmechanics.o object_debug.o 1289siesta_init.o: parallel.o parallelsubs.o projected_DOS.o siesta_cmlsubs.o 1290siesta_init.o: siesta_dicts.o siesta_geom.o siesta_options.o sparse_matrices.o 1291siesta_init.o: struct_init.o sys.o timer.o timestamp.o ts_init.o units.o 1292siesta_init.o: writewave.o zmatrix.o 1293siesta_master.o: iopipes.o iosockets.o precision.o sys.o 1294siesta_move.o: atomlist.o broyden_optim.o cell_broyden_optim.o 1295siesta_move.o: cell_fire_optim.o dynamics.o fire_optim.o flook_siesta.o ioxv.o 1296siesta_move.o: m_check_walltime.o m_energies.o m_exp_coord.o m_forces.o 1297siesta_move.o: m_kinetic.o m_mpi_utils.o m_steps.o m_stress.o m_target_stress.o 1298siesta_move.o: parallel.o siesta_cml.o siesta_dicts.o siesta_geom.o 1299siesta_move.o: siesta_master.o siesta_options.o sys.o units.o write_subs.o 1300siesta_move.o: zm_broyden_optim.o zm_fire_optim.o zmatrix.o 1301sparse_matrices.o: alloc.o class_Fstack_Pair_Geometry_SpData2D.o 1302sparse_matrices.o: class_OrbitalDistribution.o class_SpData1D.o 1303sparse_matrices.o: class_SpData2D.o class_Sparsity.o precision.o 1304spatial.o: precision.o 1305spher_harm.o: alloc.o precision.o sys.o 1306spinorbit.o: atm_types.o atmfuncs.o atmparams.o basis_types.o m_mpi_utils.o 1307spinorbit.o: parallel.o parallelsubs.o precision.o pseudopotential.o sys.o 1308state_analysis.o: atomlist.o born_charge.o flook_siesta.o m_energies.o 1309state_analysis.o: m_fixed.o m_forces.o m_ntm.o m_spin.o m_stress.o 1310state_analysis.o: m_ts_global_vars.o m_ts_options.o m_wallclock.o parallel.o 1311state_analysis.o: remove_intramol_pressure.o siesta_cml.o siesta_geom.o 1312state_analysis.o: siesta_options.o sparse_matrices.o ts_charge.o units.o 1313state_analysis.o: write_subs.o zmatrix.o 1314state_init.o: alloc.o atomlist.o class_Data2D.o 1315state_init.o: class_Fstack_Pair_Geometry_SpData2D.o 1316state_init.o: class_Pair_Geometry_SpData2D.o class_SpData1D.o class_SpData2D.o 1317state_init.o: class_Sparsity.o create_Sparsity_SC.o dftu_specs.o domain_decom.o 1318state_init.o: files.o hsparse.o iodm_netcdf.o iodmhs_netcdf.o ioxv.o 1319state_init.o: kpoint_grid.o m_energies.o m_eo.o m_handle_sparse.o m_mixing.o 1320state_init.o: m_mixing_scf.o m_mpi_utils.o m_ncdf_siesta.o m_new_dm.o m_os.o 1321state_init.o: m_pivot_methods.o m_rmaxh.o m_sparse.o m_sparsity_handling.o 1322state_init.o: m_spin.o m_steps.o m_supercell.o m_test_io.o m_ts_electype.o 1323state_init.o: m_ts_global_vars.o m_ts_io.o m_ts_kpoints.o m_ts_options.o 1324state_init.o: m_ts_sparse.o m_ts_tri_init.o normalize_dm.o overlap.o parallel.o 1325state_init.o: proximity_check.o restructSpData2D.o siesta_cml.o siesta_dicts.o 1326state_init.o: siesta_geom.o siesta_options.o sparse_matrices.o sys.o ts_dq.o 1327state_init.o: units.o write_subs.o zmatrix.o 1328struct_init.o: alloc.o atmfuncs.o atomlist.o files.o ioxv.o m_exp_coord.o 1329struct_init.o: m_iostruct.o m_mpi_utils.o m_steps.o parallel.o periodic_table.o 1330struct_init.o: siesta_cml.o siesta_geom.o siesta_master.o siesta_options.o 1331struct_init.o: units.o zmatrix.o 1332sys.o: parallel.o siesta_cml.o 1333timer.o: extrae_eventllist.o extrae_module.o m_timer.o parallel.o sys.o 1334timer.o: timer_tree.o 1335timer_tree.o: m_walltime.o 1336transition_rate.o: alloc.o fermid.o parallel.o parallelsubs.o precision.o sys.o 1337ts_charge.o: class_OrbitalDistribution.o class_Sparsity.o geom_helper.o 1338ts_charge.o: m_ts_electype.o m_ts_method.o parallel.o precision.o 1339ts_dq.o: alloc.o class_OrbitalDistribution.o class_Sparsity.o geom_helper.o 1340ts_dq.o: m_interpolate.o m_ts_cctype.o m_ts_chem_pot.o m_ts_contour_eq.o 1341ts_dq.o: m_ts_electype.o m_ts_method.o parallel.o precision.o sorting.o 1342ts_dq.o: ts_charge.o units.o 1343ts_energies.o: class_OrbitalDistribution.o class_SpData1D.o class_SpData2D.o 1344ts_energies.o: class_Sparsity.o geom_helper.o m_energies.o m_spin.o 1345ts_energies.o: m_ts_electype.o m_ts_method.o m_ts_options.o parallel.o 1346ts_energies.o: precision.o sparse_matrices.o 1347ts_init.o: m_fixed.o m_os.o m_ts_cctype.o m_ts_electrode.o m_ts_electype.o 1348ts_init.o: m_ts_gf.o m_ts_global_vars.o m_ts_kpoints.o m_ts_method.o 1349ts_init.o: m_ts_options.o parallel.o siesta_options.o 1350ts_show_regions.o: m_region.o m_ts_electype.o m_ts_method.o parallel.o 1351ts_show_regions.o: precision.o units.o 1352typecell.o: precision.o 1353uncell.o: precision.o 1354units.o: precision.o 1355vacuum_level.o: moreParallelSubs.o precision.o 1356vmat.o: alloc.o atm_types.o atmfuncs.o atomlist.o listsc.o m_spin.o mesh.o 1357vmat.o: meshdscf.o meshphi.o parallel.o parallelsubs.o precision.o 1358vmatsp.o: alloc.o atm_types.o atmfuncs.o atomlist.o listsc.o mesh.o meshdscf.o 1359vmatsp.o: meshphi.o parallel.o precision.o 1360vmb.o: m_fixed.o parallel.o precision.o sys.o 1361write_inp_wannier.o: alloc.o atmfuncs.o atomlist.o m_ntm.o m_orderbands.o 1362write_inp_wannier.o: mneighb.o parallel.o parallelsubs.o precision.o 1363write_inp_wannier.o: siesta2wannier90.o siesta_geom.o 1364write_md_record.o: atomlist.o m_energies.o m_kinetic.o m_steps.o m_stress.o 1365write_md_record.o: md_out.o parallel.o siesta_geom.o siesta_options.o units.o 1366write_orb_indx.o: atmfuncs.o cellsubs.o files.o precision.o 1367write_raw_efs.o: atmfuncs.o atomlist.o precision.o siesta_geom.o 1368write_subs.o: atomlist.o iofa.o m_energies.o m_forces.o m_iostruct.o m_region.o 1369write_subs.o: m_spin.o m_steps.o m_stress.o m_ts_electype.o m_ts_global_vars.o 1370write_subs.o: m_ts_method.o m_ts_options.o parallel.o precision.o siesta_cml.o 1371write_subs.o: siesta_geom.o siesta_options.o units.o zmatrix.o 1372writewave.o: alloc.o atmfuncs.o atomlist.o densematrix.o diag.o diag_option.o 1373writewave.o: get_kpoints_scale.o kpoint_grid.o m_spin.o m_spin.o parallel.o 1374writewave.o: parallelsubs.o precision.o siesta_geom.o sys.o units.o 1375xml.o: precision.o 1376zm_broyden_optim.o: m_broyddj_nocomm.o parallel.o precision.o sys.o units.o 1377zm_broyden_optim.o: zmatrix.o 1378zm_fire_optim.o: m_fire.o parallel.o precision.o siesta_options.o units.o 1379zm_fire_optim.o: zmatrix.o 1380zmatrix.o: alloc.o m_cell.o parallel.o precision.o siesta_geom.o sys.o units.o 1381band.o: bands.o 1382bloch_unfold_m.o: bloch_unfold.o 1383class_cdata1d.o: class_Data1D.o 1384class_cdata2d.o: class_Data2D.o 1385class_cspdata1d.o: class_SpData1D.o 1386class_cspdata2d.o: class_SpData2D.o 1387class_ctrimat.o: class_TriMat.o 1388class_ddata1d.o: class_Data1D.o 1389class_ddata2d.o: class_Data2D.o 1390class_dspdata1d.o: class_SpData1D.o 1391class_dspdata2d.o: class_SpData2D.o 1392class_dtrimat.o: class_TriMat.o 1393class_fstack_ddata1d.o: class_Fstack_Data1D.o 1394class_fstack_gdata1d.o: class_Fstack_Data1D.o 1395class_fstack_pair_ddata1d.o: class_Fstack_Pair_Data1D.o 1396class_fstack_pair_dspdata1d.o: class_Fstack_Pair_SpData1D.o 1397class_fstack_pair_gdata1d.o: class_Fstack_Pair_Data1D.o 1398class_fstack_pair_geometry_dspdata2d.o: class_Fstack_Pair_Geometry_SpData2D.o 1399class_fstack_pair_gspdata1d.o: class_Fstack_Pair_SpData1D.o 1400class_fstack_pair_sdata1d.o: class_Fstack_Pair_Data1D.o 1401class_fstack_pair_sspdata1d.o: class_Fstack_Pair_SpData1D.o 1402class_fstack_sdata1d.o: class_Fstack_Data1D.o 1403class_gdata1d.o: class_Data1D.o 1404class_gspdata1d.o: class_SpData1D.o 1405class_idata1d.o: class_Data1D.o 1406class_idata2d.o: class_Data2D.o 1407class_ispdata1d.o: class_SpData1D.o 1408class_ispdata2d.o: class_SpData2D.o 1409class_itrimat.o: class_TriMat.o 1410class_ldata1d.o: class_Data1D.o 1411class_ldata2d.o: class_Data2D.o 1412class_lspdata1d.o: class_SpData1D.o 1413class_lspdata2d.o: class_SpData2D.o 1414class_ltrimat.o: class_TriMat.o 1415class_pair_ddata1d.o: class_Pair_Data1D.o 1416class_pair_dspdata1d.o: class_Pair_SpData1D.o 1417class_pair_gdata1d.o: class_Pair_Data1D.o 1418class_pair_geometry_dspdata2d.o: class_Pair_Geometry_SpData2D.o 1419class_pair_gspdata1d.o: class_Pair_SpData1D.o 1420class_pair_sdata1d.o: class_Pair_Data1D.o 1421class_pair_sspdata1d.o: class_Pair_SpData1D.o 1422class_sdata1d.o: class_Data1D.o 1423class_sdata2d.o: class_Data2D.o 1424class_sspdata1d.o: class_SpData1D.o 1425class_sspdata2d.o: class_SpData2D.o 1426class_strimat.o: class_TriMat.o 1427class_zdata1d.o: class_Data1D.o 1428class_zdata2d.o: class_Data2D.o 1429class_zspdata1d.o: class_SpData1D.o 1430class_zspdata2d.o: class_SpData2D.o 1431class_ztrimat.o: class_TriMat.o 1432diagmemory.o: memoryinfo.o 1433dipole_m.o: dipole.o 1434f90sockets.o: fsockets.o 1435fsiesta.o: fsiesta_sockets.o 1436iofa_m.o: iofa.o 1437listsc_module.o: listsc.o 1438m_bessph.o: bessph.o 1439m_born_charge.o: born_charge.o 1440m_broyden_optim.o: broyden_optim.o 1441m_cell_broyden_optim.o: cell_broyden_optim.o 1442m_cell_fire_optim.o: cell_fire_optim.o 1443m_cgwf.o: cgwf.o 1444m_chempot.o: chempot.o 1445m_chkgmx.o: chkgmx.o 1446m_compute_dm.o: compute_dm.o 1447m_compute_ebs_shift.o: compute_ebs_shift.o 1448m_compute_energies.o: compute_energies.o 1449m_compute_max_diff.o: compute_max_diff.o 1450m_compute_rhog.o: compute_rhog.o 1451m_conjgr.o: conjgr.o 1452m_conjgr_old.o: conjgr_old.o 1453m_delk.o: delk.o 1454m_denmat.o: denmat.o 1455m_dfscf.o: dfscf.o 1456m_dftu.o: dftu.o 1457m_dhscf.o: dhscf.o 1458m_diag.o: diag.o 1459m_diag_option.o: diag_option.o 1460m_diagon.o: diagon.o 1461m_dm_charge.o: dm_charge.o 1462m_dnaefs.o: dnaefs.o 1463m_doping_uniform.o: doping_uniform.o 1464m_dynamics.o: dynamics.o 1465m_eandg.o: egandd.o 1466m_ener3.o: ener3.o 1467m_errorf.o: errorf.o 1468m_fermid.o: fermid.o 1469m_fft.o: fft.o 1470m_final_h_f_stress.o: final_H_f_stress.o 1471m_find_kgrid.o: find_kgrid.o 1472m_fire_optim.o: fire_optim.o 1473m_forhar.o: forhar.o 1474m_get_kpoints_scale.o: get_kpoints_scale.o 1475m_gradient.o: gradient.o 1476m_grdsam.o: grdsam.o 1477m_hsparse.o: hsparse.o 1478m_intramol_pressure.o: remove_intramol_pressure.o 1479m_ioxv.o: ioxv.o 1480m_kinefsm.o: kinefsm.o 1481m_ksv.o: ksv.o 1482m_ksvinit.o: ksvinit.o 1483m_linpack.o: linpack.o 1484m_local_dos.o: local_DOS.o 1485m_matel_registry.o: matel_registry.o 1486m_minvec.o: minvec.o 1487m_mixer.o: mixer.o 1488m_naefs.o: naefs.o 1489m_new_matel.o: new_matel.o 1490m_nlefsm.o: nlefsm.o 1491m_norm.o: compute_norm.o 1492m_normalize_dm.o: normalize_dm.o 1493m_object_debug.o: object_debug.o 1494m_on_subs.o: on_subs.o 1495m_ordern.o: ordern.o 1496m_overfsm.o: overfsm.o 1497m_overlap.o: overlap.o 1498m_pexsi_solver.o: m_pexsi_driver.o 1499m_post_scf_work.o: post_scf_work.o 1500m_projected_dos.o: projected_DOS.o 1501m_proximity_check.o: proximity_check.o 1502m_radfft.o: radfft.o 1503m_restruct_spdata2d.o: restructSpData2D.o 1504m_rhofft.o: rhofft.o 1505m_rhoofd.o: rhoofd.o 1506m_rhoofdsp.o: rhoofdsp.o 1507m_rusage.o: rusage.o 1508m_save_density_matrix.o: save_density_matrix.o 1509m_scf_options.o: m_options.o 1510m_scfconvergence_test.o: scfconvergence_test.o 1511m_setup_h0.o: setup_H0.o 1512m_setup_hamiltonian.o: setup_hamiltonian.o 1513m_siesta2wannier90.o: siesta2wannier90.o 1514m_siesta_analysis.o: siesta_analysis.o 1515m_siesta_end.o: siesta_end.o 1516m_siesta_forces.o: siesta_forces.o 1517m_siesta_init.o: siesta_init.o 1518m_siesta_move.o: siesta_move.o 1519m_state_analysis.o: state_analysis.o 1520m_state_init.o: state_init.o 1521m_struct_init.o: struct_init.o 1522m_timer_tree.o: timer_tree.o 1523m_timestamp.o: timestamp.o 1524m_ts_init.o: ts_init.o 1525m_vmat.o: vmat.o 1526m_vmatsp.o: vmatsp.o 1527m_zm_broyden_optim.o: zm_broyden_optim.o 1528m_zm_fire_optim.o: zm_fire_optim.o 1529mtprng.o: m_uuid.o 1530neighbour.o: mneighb.o 1531on_core.o: onmod.o 1532on_main.o: onmod.o 1533printmat.o: printmatrix.o 1534t_spin.o: m_spin.o 1535timer_options.o: timer.o 1536trialorbitalclass.o: m_trialorbitalclass.o 1537ts_charge_m.o: ts_charge.o 1538ts_dq_m.o: ts_dq.o 1539ts_energies_m.o: ts_energies.o 1540version_info.o: version.o 1541write_subs_energies.o: write_subs.o 1542write_subs_positions.o: write_subs.o 1543write_subs_pressure.o: write_subs.o 1544