1# $Id$ 2 3# LIB_DEFINES = -DDDSCF_TEXAS 4 5 6 OBJ = comp4_bins.o rhf_dens_mo.o \ 7 comp4_insert.o scf_sym_adap.o \ 8 rhf_fock_2e.o scf_lindep.o \ 9 ga_atom_blk.o scf.o scf_input.o \ 10 schwarz_init.o vectors_inp.o \ 11 int_1e_ga.o schwarz_pr.o \ 12 ga_orth_mos.o schwarz_tidy.o \ 13 int2e_balance.o \ 14 vectors.o scf_sym_scr.o \ 15 ga_cont_blk.o mull_pop.o \ 16 matrix_exp.o scf_pstat.o \ 17 schwarz_max.o movecs_proj.o \ 18 movecs_rotate.o movecs_molden.o \ 19 ao_fock_2e.o movecs_lock.o \ 20 fock_2e.o fock_2e_et.o \ 21 fock_2e_a.o print_aoints.o \ 22 fock_2e_b.o \ 23 fock_upd_blk.o fock_2e_cdf.o \ 24 fock_get_blk.o scf_vec_guess.o \ 25 rohf.o rohf_nr_sol.o \ 26 rohf_wrap.o rohf_canon.o \ 27 rohf_k2cf.o rohf_precon.o \ 28 rohf_shift.o rohf_step.o \ 29 rohf_rotate.o scf_get_info.o \ 30 rohf_hscale.o fock_2e_file.o \ 31 rohf_hxx.o rohf_fock.o \ 32 rohf_fock2g.o scf_movecs.o \ 33 rohf_h1e.o rohf_h2e.o \ 34 rohf_hessv2.o \ 35 rohf_dens.o movecs_phase.o \ 36 riscf_fock.o riscf_init.o \ 37 riscf_list.o riscf_tidy.o \ 38 riscf_trans.o do_riscf.o \ 39 riscf_dovecs.o rohf_scat.o \ 40 uhf.o uhf_hessv.o fock_2e_rep.o \ 41 uhf_hessv2.o \ 42 print_integ_list.o print_1eints.o \ 43 riscf_square.o riscf_io.o movecs_pr_anal.o \ 44 rohf_lagr.o rohf_diis.o \ 45 rhf_fock.o multipole.o ga_mat_to_vec.o \ 46 movecs_frag.o localize.o int_dip_ga.o \ 47 fock_xc.o fock_j_fit.o rohf_jkfac.o uhf_jkfac.o \ 48 rohf_hessv3.o \ 49 fock_2e_cam.o ga_get2eri.o scf_frozemb.o print_integrals.o \ 50 rohf_hessv2_ext.o rohf_hessv3_ext.o uhf_hessv2_ext.o uhf_precond_ext.o \ 51 scf_dump_evp_input.o 52 53 54 OBJ_OPTIMIZE = \ 55 fock_2e_task.o \ 56 fock_2e_slab.o \ 57 fock_2e_lab.o fock_labscal.o \ 58 fock_2e_c.o \ 59 fock_scale.o \ 60 fock_densc.o \ 61 schwarz_atom.o \ 62 comp4_ext.o \ 63 schwarz_sh.o \ 64 int2e_file.o \ 65 ao_replicated.o 66 67 LIBRARY = libddscf.a 68 69 USES_BLAS = ao_fock_2e.F ao_replicated.F fock_2e_file.F fock_2e_slab.F int2e_file.F \ 70 movecs_lock.F movecs_phase.F riscf_fock.F riscf_trans.F rohf_diis.F \ 71 rohf_k2cf.F scf_movecs.F scf_vec_guess.F uhf.F movecs_frag.F localize.F fock_2e.F \ 72 fock_2e_cam.F int_1e_ga.F movecs_rotate.F vectors.F ga_get2eri.F 73 74HEADERS = schwarz.fh cscfps.fh cfock.fh cscf.fh cint2efile.fh cfockmul.fh crohf.fh cosmo.fh cuhf.fh frozemb.fh 75 76#activate disk array use of RI-SCF 77 DEFINES += -DRISCF_USE_DRA 78 79 80SUBDIRS = fast 81 82include ../config/makefile.h 83include ../config/makelib.h 84