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Searched refs:npsi (Results 1 – 25 of 35) sorted by relevance

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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/utilities/
H A Dpsi_data.F23 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 …]
H A Dcpsi_data.F28 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 …]
H A Dpsi_data.fh13 integer npsi,tagmax,tagmin
17 > npsi,tagmax,tagmin
H A Dcpsi_data.fh15 integer npsi,tagmax,tagmin
21 > npsi,tagmax,tagmin,
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/utilities/
H A Dpsi_data.F23 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 …]
H A Dcpsi_data.F28 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 …]
H A Dpsi_data.fh13 integer npsi,tagmax,tagmin
17 > npsi,tagmax,tagmin
H A Dcpsi_data.fh15 integer npsi,tagmax,tagmin
21 > npsi,tagmax,tagmin,
/dports/science/siesta/siesta-4.1.5/Src/
H A Ddensematrix.f9028 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.)
H A DdiagonalizeHk.F90186 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
H A Ddiagon.F154 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)
H A Dpdos.F98 . 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)
H A Dksv.f103 . 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
/dports/science/madness/madness-ebb3fd7/src/apps/polar/
H A Dpotentialmanager.h123 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) {
/dports/science/madness/madness-ebb3fd7/src/apps/chem/
H A Dpotentialmanager.h124 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) {
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/hfx/
H A Dpspw_hfx_localized.F236 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
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/hfx/
H A Dpspw_hfx_localized.F236 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
/dports/math/R/R-4.1.2/src/library/stats/src/
H A Dpacf.c298 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()
H A Dts.h95 SEXP ar2ma(SEXP ar, SEXP npsi);
/dports/math/libRmath/R-4.1.1/src/library/stats/src/
H A Dpacf.c298 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()
H A Dts.h95 SEXP ar2ma(SEXP ar, SEXP npsi);
/dports/math/gretl/gretl-2021d/lib/src/
H A Dforecast.c1747 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 …]
/dports/math/reduce/Reduce-svn5758-src/csl/embedded/
H A Du35.lsp78 (c!:install 'findhr '(findhr headhisto codhisto nil psi npsi codmat
/dports/net/openbgpd6/openbgpd-6.9p0/src/bgpd/
H A Dconfig.c147 struct prefixset_item *psi, *npsi; in free_prefixtree() local
149 RB_FOREACH_SAFE(psi, prefixset_tree, p, npsi) { in free_prefixtree()
/dports/science/berkeleygw/BGW-2.0.0/MeanField/SAPO/
H A Dhdiag.f90766 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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