/dports/science/PETSc/petsc-3.14.1/src/snes/tutorials/network/power/ |
H A D | poweroptions | 11 -sub_pc_factor_mat_ordering_type qmd
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/qmd/ |
H A D | README | 2 Not used in current qmd module
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/dports/science/PETSc/petsc-3.14.1/src/ksp/ksp/tests/scripts/ |
H A D | ex10_lu | 7 foreach order (natural nd 1wd rcm qmd rl)
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H A D | ex10_lu_blocks | 7 foreach order (natural nd 1wd rcm qmd)
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/dports/science/PETSc/petsc-3.14.1/src/snes/tutorials/network/water/ |
H A D | wateroptions | 18 -waternet_sub_pc_factor_mat_ordering_type qmd
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/dports/games/gtypist/gtypist-2.9.5/lessons/ |
H A D | ktfr2.typ | 173 D:qmls qmd mll mm qmls qmd qmd qmd mq m q qll 174 :q q qmd mf qdd mll mll mf qmd ms qm q qm ql 175 :q mq mf qmd qs qll qmls qm q qmls ms qdd qm 176 :mf mm qdd mll qm qdd m qs m mm qm qmd ms qm 180 :qll qm mm qqf qll q mll mq mll mf mf qm qmd 181 :qmd qmd ms qmls mm ms ms qmls qmls mq ms qm 187 :qm m qmd m q ms qq qll qll qm q qq qq q qmd 188 :qm qll qll qmd qsk qmls qdd ms mf mm qq mqm
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/dports/science/latte/LATTE-1.2.2/examples/lammps/water/ |
H A D | README.md | 8 ~/qmd-progress/build/changecoords wat.pdb wat.lmp
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/config/ |
H A D | make_nwchem_config | 22 drdy vscf uccsdt qmmm rism qmd etrans tce geninterface bq mm cons\ 80 optim stepper driver vib qmd mcscf property solvation dplot \ 83 optim stepper driver vib qmd mcscf property solvation dplot \ 165 MODULES := $(patsubst qmd,qmd nwdft property nwmd,$(MODULES) ) 235 MOD_LIBS := $(patsubst qmd,-lqmd,$(MOD_LIBS) ) 302 STUBROUTINES := $(patsubst qmd,qmd_setup qmd_start qmd_wrttrj qmd_forces qmd_driver qmd_input task_…
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/qmd/ |
H A D | README | 2 Not used in current qmd module
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/dports/math/alberta/alberta3-920315ae1bbfd1b1fb6672d916619ac37a411e95/alberta/src/Common/ |
H A D | numint.c | 2292 QUAD_METADATA *qmd = (QUAD_METADATA *)quad->metadata; in new_quadrature() local 2297 qmd->el_cache.world && in new_quadrature() 2298 qmd->el_cache.param.det && in new_quadrature() 2299 qmd->el_cache.param.Lambda && in new_quadrature() 2300 qmd->el_cache.param.DLambda) { in new_quadrature() 2304 TEST_EXIT(qmd->param_data[deg] == NULL, in new_quadrature() 2651 static QUAD_METADATA qmd[4] = { in get_lumping_quadrature() local 2659 QR("lump0", 1, 0, 1, vlambda, weight0, &qmd[0]), in get_lumping_quadrature() 2660 QR("lump1", 1, 1, 2, vlambda, weight1, &qmd[1]), in get_lumping_quadrature() 2661 QR("lump2", 1, 2, 3, vlambda, weight2, &qmd[2]), in get_lumping_quadrature() [all …]
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H A D | parametric_intern.h | 275 QUAD_METADATA *qmd = (QUAD_METADATA *)quad->metadata; in PN() local 281 qmd->param_data[bas_fcts->degree] = in PN() 283 qmd->delete_param_data = PN(delete_param_quad_metadata); in PN() 420 QUAD_METADATA *qmd = (QUAD_METADATA *)quad->metadata; in PUN() local 438 metadata = (PUN(PARAM_QUAD_METADATA) *)qmd->param_data[bas_fcts->degree]; in PUN() 476 QUAD_METADATA *qmd = (QUAD_METADATA *)quad->metadata; in PUN() local 496 metadata = (PUN(PARAM_QUAD_METADATA) *)qmd->param_data[bas_fcts->degree]; in PUN() 792 QUAD_METADATA *qmd = (QUAD_METADATA *)quad->metadata; in PN() local 797 metadata = (PUN(PARAM_QUAD_METADATA) *)qmd->param_data[bas_fcts->degree]; in PN()
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H A D | parametric.c | 234 QUAD_METADATA *qmd = (QUAD_METADATA *)quad->metadata; in param_coord_to_world() local 239 metadata = (PARAM_QUAD_METADATA *)qmd->param_data[bas_fcts->degree]; in param_coord_to_world() 242 metadata = (PARAM_QUAD_METADATA *)qmd->param_data[bas_fcts->degree]; in param_coord_to_world()
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/dports/science/latte/LATTE-1.2.2/ |
H A D | makefile.CHOICES | 18 PROGRESS_PATH= $(HOME)/qmd-progress/install/lib
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/ |
H A D | release.notes.6.8.1 | 25 * fixed Langevin bug and add frequency calculations within qmd
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/dports/science/nwchem-data/nwchem-7.0.2-release/ |
H A D | release.notes.6.8.1 | 25 * fixed Langevin bug and add frequency calculations within qmd
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/config/ |
H A D | make_nwchem_config | 22 drdy vscf uccsdt qmmm rism qmd etrans tce geninterface bq mm cons\ 80 optim stepper driver vib qmd mcscf property solvation dplot \ 83 optim stepper driver vib qmd mcscf property solvation dplot \ 165 MODULES := $(patsubst qmd,qmd nwdft ddscf gradients NWints property cphf hessian nwmd,$(MODULES) ) 235 MOD_LIBS := $(patsubst qmd,-lqmd,$(MOD_LIBS) ) 304 STUBROUTINES := $(patsubst qmd,qmd_setup qmd_start qmd_wrttrj qmd_forces qmd_driver qmd_input task_…
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/dports/math/cvc4/CVC4-1.7/src/theory/ |
H A D | quantifiers_engine.cpp | 727 QuantifiersModule * qmd = getOwner( q ); in check() local 728 if( qmd!=NULL ){ in check() 729 hasCompleteM = qmd->checkCompleteFor( q ); in check() 733 qmd = d_modules[j]; in check() 744 Assert( qmd!=NULL ); in check() 745 …Trace("quant-engine-debug2") << "Complete for " << q << " due to " << qmd->identify().c_str() << s… in check()
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/dports/science/latte/LATTE-1.2.2/makefiles/ |
H A D | makefile.CHOICES.gfort.acml | 19 PROGRESS_PATH= $(HOME)/qmd-progress/install/lib
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H A D | makefile.CHOICES.summit.xlf | 18 PROGRESS_PATH= $(HOME)/qmd-progress/install/lib64
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H A D | makefile.CHOICES.gfort.lapack | 20 PROGRESS_PATH= $(HOME)/qmd-progress/install/lib
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/dports/math/R-cran-nloptr/nloptr/src/nlopt_src/newuoa/ |
H A D | newuoa.c | 161 quad_model_data qmd; in trsapp_() local 162 qmd.npt = *npt; in trsapp_() 163 qmd.xpt = &xpt[1 + 1 * xpt_dim1]; in trsapp_() 164 qmd.pq = &pq[1]; in trsapp_() 165 qmd.hq = &hq[1]; in trsapp_() 166 qmd.gq = &gq[1]; in trsapp_() 167 qmd.xopt = &xopt[1]; in trsapp_() 168 qmd.hd = &hd[1]; in trsapp_() 169 qmd.iter = 0; in trsapp_() 184 ret = nlopt_minimize_constrained(NLOPT_LD_MMA, *n, quad_model, &qmd, in trsapp_() [all …]
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/dports/math/nlopt/nlopt-2.7.1/src/algs/newuoa/ |
H A D | newuoa.c | 162 quad_model_data qmd; in trsapp_() local 163 qmd.npt = *npt; in trsapp_() 164 qmd.xpt = &xpt[1 + 1 * xpt_dim1]; in trsapp_() 165 qmd.pq = &pq[1]; in trsapp_() 166 qmd.hq = &hq[1]; in trsapp_() 167 qmd.gq = &gq[1]; in trsapp_() 168 qmd.xopt = &xopt[1]; in trsapp_() 169 qmd.hd = &hd[1]; in trsapp_() 170 qmd.iter = 0; in trsapp_() 186 nlopt_set_min_objective(opt, quad_model, &qmd); in trsapp_() [all …]
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/dports/science/afni/afni-AFNI_21.3.16/src/ |
H A D | 3dttest++.c | 5198 char **tfname=NULL , *bmd=NULL , *qmd=NULL ; in main() local 5388 TT_cprint( cmd , qmd , " -zskip %d" , zskip_AAA ) ; in main() 5390 TT_cprint( cmd , qmd , " -zskip %.3f" , zskip_fff ) ; in main() 5395 TT_cprint( NULL, qmd , " -setA %s" , prefix_savedata ) ; in main() 5400 TT_cprint( NULL, qmd , " -setA %s'[0..%d]' -setB %s'[%d..$]'" , in main() 5407 TT_cprint( cmd , qmd , " -nocov -covariates %s" , fname_cov ) ; in main() 5415 TT_cprint( cmd , qmd , " -cmeth MEDIAN") ; in main() 5417 TT_cprint( cmd , qmd , " \\\n ") ; in main() 5419 TT_cprint( cmd , qmd , " -setA rAAA" ) ; in main() 5425 TT_cprint( cmd , qmd , " \\\n ") ; in main() [all …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/travis/ |
H A D | run_qas.sh | 161 if [[ ! $(grep -i qmd $TRAVIS_BUILD_DIR/src/stubs.F| awk '/qmd/') ]]; then
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/dports/lang/mono/mono-5.10.1.57/mcs/class/referencesource/System.Data/System/Data/SqlClient/ |
H A D | SqlParameter.cs | 1139 MSS.SmiQueryMetaData qmd = fields[i] as MSS.SmiQueryMetaData; in GetActualFieldsAndProperties() 1140 if (null != qmd && !qmd.IsKey.IsNull && qmd.IsKey.Value) { in GetActualFieldsAndProperties()
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