/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/utilities/ |
H A D | psi_data.F | 23 npsi = 2*npsi0 25 tagmin = npsi-1 27 value = BA_alloc_get(mt_int,npsi,'nsize_psi', 29 value = value.and.BA_alloc_get(mt_int,npsi,'neall_psi', 31 value = value.and.BA_alloc_get(mt_int,npsi,'indx_psi', 33 value = value.and.BA_alloc_get(mt_int,npsi,'hndl_psi', 35 value = value.and.BA_alloc_get(mt_int,npsi,'update_psi', 37 value = value.and.BA_alloc_get(mt_int,npsi,'list_psi', 39 value = value.and.BA_alloc_get(mt_int,npsi,'next_psi', 43 call icopy(npsi,0,0,int_mb(update_psi(1)),1) [all …]
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H A D | cpsi_data.F | 28 npsi = 2*npsi0 30 tagmin = npsi-1 32 value = BA_alloc_get(mt_int,npsi,'nsize_psi', 34 value = value.and.BA_alloc_get(mt_int,npsi,'neall_psi', 38 value = value.and.BA_alloc_get(mt_int,npsi,'indx_psi', 40 value = value.and.BA_alloc_get(mt_int,npsi,'hndl_psi', 42 value = value.and.BA_alloc_get(mt_int,npsi,'curnb_psi', 46 value = value.and.BA_alloc_get(mt_int,npsi,'list_psi', 48 value = value.and.BA_alloc_get(mt_int,npsi,'next_psi', 51 call icopy(npsi,0,0,int_mb(update_psi(1)),1) [all …]
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H A D | psi_data.fh | 13 integer npsi,tagmax,tagmin 17 > npsi,tagmax,tagmin
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H A D | cpsi_data.fh | 15 integer npsi,tagmax,tagmin 21 > npsi,tagmax,tagmin,
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/utilities/ |
H A D | psi_data.F | 23 npsi = 2*npsi0 25 tagmin = npsi-1 27 value = BA_alloc_get(mt_int,npsi,'nsize_psi', 29 value = value.and.BA_alloc_get(mt_int,npsi,'neall_psi', 31 value = value.and.BA_alloc_get(mt_int,npsi,'indx_psi', 33 value = value.and.BA_alloc_get(mt_int,npsi,'hndl_psi', 35 value = value.and.BA_alloc_get(mt_int,npsi,'update_psi', 37 value = value.and.BA_alloc_get(mt_int,npsi,'list_psi', 39 value = value.and.BA_alloc_get(mt_int,npsi,'next_psi', 43 call icopy(npsi,0,0,int_mb(update_psi(1)),1) [all …]
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H A D | cpsi_data.F | 28 npsi = 2*npsi0 30 tagmin = npsi-1 32 value = BA_alloc_get(mt_int,npsi,'nsize_psi', 34 value = value.and.BA_alloc_get(mt_int,npsi,'neall_psi', 38 value = value.and.BA_alloc_get(mt_int,npsi,'indx_psi', 40 value = value.and.BA_alloc_get(mt_int,npsi,'hndl_psi', 42 value = value.and.BA_alloc_get(mt_int,npsi,'curnb_psi', 46 value = value.and.BA_alloc_get(mt_int,npsi,'list_psi', 48 value = value.and.BA_alloc_get(mt_int,npsi,'next_psi', 51 call icopy(npsi,0,0,int_mb(update_psi(1)),1) [all …]
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H A D | psi_data.fh | 13 integer npsi,tagmax,tagmin 17 > npsi,tagmax,tagmin
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H A D | cpsi_data.fh | 15 integer npsi,tagmax,tagmin 21 > npsi,tagmax,tagmin,
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/dports/science/siesta/siesta-4.1.5/Src/ |
H A D | densematrix.f90 | 28 subroutine allocDenseMatrix(nHaux, nSaux, npsi) argument 30 integer, intent(in) :: nHaux, nSaux, npsi local 36 call re_alloc(psi, 1, npsi, 'psi', 'densematrix', copy=.false., shrink=.false.)
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H A D | diagonalizeHk.F90 | 186 integer :: npsi ! Variable to dimension the coefficient vector local 204 npsi = 2 * no_u * no_l 205 call allocDenseMatrix(nhs, nhs, npsi) 245 do io = 1, npsi
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H A D | diagon.F | 154 integer :: io, iuo, naux, nhs, npsi, nuo 173 npsi = nuotot * maxuo * nspin 177 npsi = 2 * nuotot * nuo 182 npsi = 2 * nuotot * nuotot 188 npsi = 2 * (2*nuotot) * (2*nuo) 193 npsi = 2 * 2 * nuotot * 2 * nuotot 203 call allocDenseMatrix(nhs, nhs, npsi)
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H A D | pdos.F | 98 . nuo, nhs, npsi, iuo, ihist, ispin, 152 npsi = no_u * no_l * maxspn 156 npsi = 2 * no_u * no_u 159 npsi = 2 * no_u * nuo 163 npsi = 2 * (2*no_u) * (2*nuo) 171 call allocDenseMatrix(nhs, nhs, npsi)
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H A D | ksv.f | 103 . notcal(3), nhs, npsi 206 npsi = 2*nuotot*nuo 207 call allocDenseMatrix(nhs, nhs, npsi) 212 call re_alloc( psi1, 1, npsi, 'psi1', 'KSV_pol' ) 213 call re_alloc( psiprev, 1, npsi, 'psiprev', 'KSV_pol' ) 217 do io = 1,npsi
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/dports/science/madness/madness-ebb3fd7/src/apps/polar/ |
H A D | potentialmanager.h | 123 int npsi = psi.size(); 124 if (npsi == 0) return psi; 126 vector_real_function_3d proj = zero_functions<double,3>(world, npsi); 127 real_tensor overlap_sum(static_cast<long>(npsi)); 142 for (int j=0; j<npsi; ++j) {
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/dports/science/madness/madness-ebb3fd7/src/apps/chem/ |
H A D | potentialmanager.h | 124 int npsi = psi.size(); 125 if (npsi == 0) return psi; 127 vector_real_function_3d proj = zero_functions_compressed<double,3>(world, npsi); 128 real_tensor overlap_sum(static_cast<long>(npsi)); 143 for (int j=0; j<npsi; ++j) {
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/hfx/ |
H A D | pspw_hfx_localized.F | 236 subroutine pspw_hfx_localize2_n(npsi,psi_r,psi1,psi2,psi3) argument 238 integer npsi local 304 if (npsi.gt.0) then 314 if (npsi.gt.1) then 324 if (npsi.gt.2) then
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/hfx/ |
H A D | pspw_hfx_localized.F | 236 subroutine pspw_hfx_localize2_n(npsi,psi_r,psi1,psi2,psi3) argument 238 integer npsi local 304 if (npsi.gt.0) then 314 if (npsi.gt.1) then 324 if (npsi.gt.2) then
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/dports/math/R/R-4.1.2/src/library/stats/src/ |
H A D | pacf.c | 298 static void artoma(int p, double *phi, double *psi, int npsi) in artoma() argument 303 for(i = p; i < npsi; i++) psi[i] = 0.0; in artoma() 304 for(i = 0; i < npsi - p - 1; i++) in artoma() 308 SEXP ar2ma(SEXP ar, SEXP npsi) in ar2ma() argument 311 int p = LENGTH(ar), ns = asInteger(npsi), ns1 = ns + p + 1; in ar2ma()
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H A D | ts.h | 95 SEXP ar2ma(SEXP ar, SEXP npsi);
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/dports/math/libRmath/R-4.1.1/src/library/stats/src/ |
H A D | pacf.c | 298 static void artoma(int p, double *phi, double *psi, int npsi) in artoma() argument 303 for(i = p; i < npsi; i++) psi[i] = 0.0; in artoma() 304 for(i = 0; i < npsi - p - 1; i++) in artoma() 308 SEXP ar2ma(SEXP ar, SEXP npsi) in ar2ma() argument 311 int p = LENGTH(ar), ns = asInteger(npsi), ns1 = ns + p + 1; in ar2ma()
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H A D | ts.h | 95 SEXP ar2ma(SEXP ar, SEXP npsi);
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/dports/math/gretl/gretl-2021d/lib/src/ |
H A D | forecast.c | 1747 double *psi, int npsi, int l) in arma_variance() argument 1758 for (j=1; j<npsi; j++) { in arma_variance() 1915 int p, q, px = 0, npsi = 0; in arma_fcast() local 1994 npsi = fc->t2 - fcstart + 1; in arma_fcast() 1995 psi = malloc(npsi * sizeof *psi); in arma_fcast() 2157 psi, npsi, t - fcstart + 1); in arma_fcast() 2229 set_up_ar_fcast_variance (const MODEL *pmod, int pmax, int npsi, in set_up_ar_fcast_variance() argument 2239 psi = malloc(npsi * sizeof *psi); in set_up_ar_fcast_variance() 2296 int pwe, npsi = 0; in ar_fcast() local 2317 npsi = fc->t2 - fc->t1 + 1; in ar_fcast() [all …]
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/dports/math/reduce/Reduce-svn5758-src/csl/embedded/ |
H A D | u35.lsp | 78 (c!:install 'findhr '(findhr headhisto codhisto nil psi npsi codmat
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/dports/net/openbgpd6/openbgpd-6.9p0/src/bgpd/ |
H A D | config.c | 147 struct prefixset_item *psi, *npsi; in free_prefixtree() local 149 RB_FOREACH_SAFE(psi, prefixset_tree, p, npsi) { in free_prefixtree()
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/dports/science/berkeleygw/BGW-2.0.0/MeanField/SAPO/ |
H A D | hdiag.f90 | 766 call npsi(.true.,fblas,npre,nbas,nmat,ngk_l,wfnbuf_d,norm,ndum) 892 call npsi(.false.,fblas,0,nvec,nvec,ngk_l,residual_d,norm,ndum) 1869 PUSH_SUB(npsi) argument 1916 POP_SUB(npsi)
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