| /dports/science/ergo/ergo-3.8/source/test/ |
| H A D | xcmat_r_u_test.cc | 111 ergo_real *dmata = ergo_new(n*n, ergo_real); in test_small() local
112 for(int i=n*n-1; i>=0; --i) dmata[i] = 0.5*dmat[i]; in test_small()
153 dmata, dmata, in test_small()
171 ergo_free(dmata); in test_small()
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| H A D | xcmat_nan_inf_test.cc | 155 ergo_real *dmata = ergo_new(n*n, ergo_real); in test_small() local
156 for(int i=n*n-1; i>=0; --i) dmata[i] = 0.5*dmat[i]; in test_small()
198 dmata, dmata, in test_small()
218 ergo_free(dmata); in test_small()
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| H A D | xcmat_test.cc | 114 ergo_real *dmata = ergo_new(n*n, ergo_real); in test_small() local
115 for(int i=n*n-1; i>=0; --i) dmata[i] = 0.5*dmat[i]; in test_small()
162 dmata, dmata, in test_small()
178 ergo_free(dmata); in test_small()
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
| H A D | gen-so-int.c | 125 dens.dmata = malloc(nbast2*sizeof(real)); in FSYM()
132 FSYM2(dft_get_ao_dens_mat)(cmo, dens.dmata, work, lwork); in FSYM()
134 outmat_(dens.dmata,&ONEI,&inforb_.nbast,&ONEI,&inforb_.nbast, in FSYM()
161 free(dens.dmata); in FSYM()
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| H A D | general.h | 49 real *dmata, *dmatb; member
229 void FSYM(dftdnsab)(real* dmata,real* dmatb, real* work,
265 void FSYM2(dft_get_ao_dens_matab)(real* cmo, real* dmata, real* dmatb,
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| H A D | prop-eval.c | 328 dens.dmata = lr_data.dmat; in FSYM2()
440 dens.dmata = dmat; in FSYM2()
650 dens.dmata = dmat; dens.dmatb = dmat + inforb_.n2basx; in FSYM2()
689 real* dmata, *dmatb, *kappaa, *kappab, *resa, *resb; member
994 dens.dmata = lr_data.dmata = malloc(inforb_.n2basx*sizeof(real)); in FSYM2()
1008 daxpy_(&inforb_.n2basx,&DP5R,lr_data.dmatb,&ONEI,lr_data.dmata,&ONEI); in FSYM2()
1078 free(lr_data.dmata); in FSYM2()
1880 real* dmata, *dmatb; member
2217 lr_data.dmata = dal_malloc(2*inforb_.n2basx*sizeof(real)); in FSYM2()
2218 lr_data.dmatb = lr_data.dmata+inforb_.n2basx; in FSYM2()
[all …]
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| H A D | dft_aux.F | 299 SUBROUTINE dft_get_ao_dens_matab(cmo,dmata,dmatb,work,lwork) argument
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| H A D | quad-open.c | 26 real *dmata, *dmatb; /* Denisty matrices */ member
813 data.dmata = calloc(2*inforb_.n2basx,sizeof(real)); in quad_open_init()
814 data.dmatb = data.dmata+inforb_.n2basx; in quad_open_init()
893 free(data.dmata); in quad_open_free()
1037 FSYM2(dft_get_ao_dens_matab)(cmo,qr_data.dmatb,qr_data.dmata,work,lwork); in FSYM2()
1038 FSYM(daxpy)(&inforb_.n2basx,&DP5R,qr_data.dmatb,&ONEI,qr_data.dmata,&ONEI); in FSYM2()
1074 electrons = dft_integrate_ao_bl( 2, qr_data.dmata, work, lwork, iprint, 0, in FSYM2()
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| H A D | general.c | 530 getrho_(dens->dmata, grid->atv, &rho, tmp_vec, &grid->dfthri); in dft_dens_restricted()
552 getrho_(dens->dmata, grid->atv, &dp->rhoa, tmpa, &grid->dfthri); in dft_dens_unrestricted()
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| H A D | integrator.c | 324 rawgrid = grid_open(inforb_.nbast, dens->dmata, work, lwork, *iprint); in dft_integrate_ao()
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| /dports/science/ergo/ergo-3.8/source/dft/ |
| H A D | xc_matrix.cc | 446 dft_get_uxc(int nElectrons, const real* dmata, const real *dmatb, in dft_get_uxc() argument
458 Dft::FullMatrix densa(dmata, nbast); in dft_get_uxc()
520 const real* dmata, *dmatb; member
533 d->el = dft_get_uxc(d->nElectrons, d->dmata, d->dmatb, *d->bis, *d->mol, in dft_get_uxc_worker()
539 dft_get_uxc_mt(int nElectrons, const real* dmata, const real *dmatb, in dft_get_uxc_mt() argument
557 electrons = dft_get_uxc(nElectrons, dmata, dmatb, bis, mol, in dft_get_uxc_mt()
562 data[i].dmata = dmata; in dft_get_uxc_mt()
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| H A D | xc_matrix.h | 42 const real* dmata, const real *dmatb,
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| H A D | dft.h | 112 const real* dmata, const real *dmatb,
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| /dports/science/madness/madness-ebb3fd7/src/apps/chem/ |
| H A D | molecularbasis.cc | 254 Tensor<double> dmata = inner(avec, aovec); in modify_dmat_psp() local
256 Tensor<double> dmat = dmata + dmatb; in modify_dmat_psp()
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| /dports/textproc/sv-hunspell/sv-hunspell-2.40/dictionaries/ |
| H A D | sv_FI.dic | 123768 stödmata/ADjmNP
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| H A D | sv_SE.dic | 124009 stödmata/ADjmNP
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| /dports/editors/texstudio/texstudio-4.1.2/utilities/dictionaries/ |
| H A D | sv_FI-SwedishFinland.dic | 125065 stödmata/ADjmNP
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| H A D | sv_SV-Swedish.dic | 125318 stödmata/ADjmNP
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| /dports/textproc/py-spylls/spylls-0.1.6/spylls/hunspell/data/sv/ |
| H A D | sv_SE.dic | 124009 stödmata/ADjmNP
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| /dports/www/dooble/dooble-2021.12.05/Dictionaries/sv_SE/ |
| H A D | sv_FI.dic | 123768 stödmata/ADjmNP
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| H A D | sv_SE.dic | 124009 stödmata/ADjmNP
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