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Searched refs:qmd (Results 76 – 100 of 270) sorted by relevance

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/dports/science/PETSc/petsc-3.14.1/src/snes/tutorials/network/power/
H A Dpoweroptions11 -sub_pc_factor_mat_ordering_type qmd
/dports/science/nwchem-data/nwchem-7.0.2-release/src/qmd/
H A DREADME2 Not used in current qmd module
/dports/science/PETSc/petsc-3.14.1/src/ksp/ksp/tests/scripts/
H A Dex10_lu7 foreach order (natural nd 1wd rcm qmd rl)
H A Dex10_lu_blocks7 foreach order (natural nd 1wd rcm qmd)
/dports/science/PETSc/petsc-3.14.1/src/snes/tutorials/network/water/
H A Dwateroptions18 -waternet_sub_pc_factor_mat_ordering_type qmd
/dports/games/gtypist/gtypist-2.9.5/lessons/
H A Dktfr2.typ173 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
/dports/science/latte/LATTE-1.2.2/examples/lammps/water/
H A DREADME.md8 ~/qmd-progress/build/changecoords wat.pdb wat.lmp
/dports/science/nwchem-data/nwchem-7.0.2-release/src/config/
H A Dmake_nwchem_config22 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_…
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/qmd/
H A DREADME2 Not used in current qmd module
/dports/math/alberta/alberta3-920315ae1bbfd1b1fb6672d916619ac37a411e95/alberta/src/Common/
H A Dnumint.c2292 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 …]
H A Dparametric_intern.h275 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()
H A Dparametric.c234 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()
/dports/science/latte/LATTE-1.2.2/
H A Dmakefile.CHOICES18 PROGRESS_PATH= $(HOME)/qmd-progress/install/lib
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/
H A Drelease.notes.6.8.125 * fixed Langevin bug and add frequency calculations within qmd
/dports/science/nwchem-data/nwchem-7.0.2-release/
H A Drelease.notes.6.8.125 * fixed Langevin bug and add frequency calculations within qmd
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/config/
H A Dmake_nwchem_config22 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_…
/dports/math/cvc4/CVC4-1.7/src/theory/
H A Dquantifiers_engine.cpp727 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()
/dports/science/latte/LATTE-1.2.2/makefiles/
H A Dmakefile.CHOICES.gfort.acml19 PROGRESS_PATH= $(HOME)/qmd-progress/install/lib
H A Dmakefile.CHOICES.summit.xlf18 PROGRESS_PATH= $(HOME)/qmd-progress/install/lib64
H A Dmakefile.CHOICES.gfort.lapack20 PROGRESS_PATH= $(HOME)/qmd-progress/install/lib
/dports/math/R-cran-nloptr/nloptr/src/nlopt_src/newuoa/
H A Dnewuoa.c161 quad_model_data qmd; in trsapp_() local
162 qmd.npt = *npt; in trsapp_()
163 qmd.xpt = &xpt[1 + 1 * xpt_dim1]; in trsapp_()
164 qmd.pq = &pq[1]; in trsapp_()
165 qmd.hq = &hq[1]; in trsapp_()
166 qmd.gq = &gq[1]; in trsapp_()
167 qmd.xopt = &xopt[1]; in trsapp_()
168 qmd.hd = &hd[1]; in trsapp_()
169 qmd.iter = 0; in trsapp_()
184 ret = nlopt_minimize_constrained(NLOPT_LD_MMA, *n, quad_model, &qmd, in trsapp_()
[all …]
/dports/math/nlopt/nlopt-2.7.1/src/algs/newuoa/
H A Dnewuoa.c162 quad_model_data qmd; in trsapp_() local
163 qmd.npt = *npt; in trsapp_()
164 qmd.xpt = &xpt[1 + 1 * xpt_dim1]; in trsapp_()
165 qmd.pq = &pq[1]; in trsapp_()
166 qmd.hq = &hq[1]; in trsapp_()
167 qmd.gq = &gq[1]; in trsapp_()
168 qmd.xopt = &xopt[1]; in trsapp_()
169 qmd.hd = &hd[1]; in trsapp_()
170 qmd.iter = 0; in trsapp_()
186 nlopt_set_min_objective(opt, quad_model, &qmd); in trsapp_()
[all …]
/dports/science/afni/afni-AFNI_21.3.16/src/
H A D3dttest++.c5198 char **tfname=NULL , *bmd=NULL , *qmd=NULL ; in main() local
5388 TT_cprint( cmd , qmd , " -zskip %d" , zskip_AAA ) ; in main()
5390 TT_cprint( cmd , qmd , " -zskip %.3f" , zskip_fff ) ; in main()
5395 TT_cprint( NULL, qmd , " -setA %s" , prefix_savedata ) ; in main()
5400 TT_cprint( NULL, qmd , " -setA %s'[0..%d]' -setB %s'[%d..$]'" , 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 …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/travis/
H A Drun_qas.sh161 if [[ ! $(grep -i qmd $TRAVIS_BUILD_DIR/src/stubs.F| awk '/qmd/') ]]; then
/dports/lang/mono/mono-5.10.1.57/mcs/class/referencesource/System.Data/System/Data/SqlClient/
H A DSqlParameter.cs1139 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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