/dports/science/siesta/siesta-4.1.5/Src/ |
H A D | basis_specs.f | 1133 subroutine type_name(basistype) argument 1135 character basistype*(*) local 1137 if(leqi(basistype,'NODES')) then 1138 basistype='nodes' 1139 elseif(leqi(basistype,'NONODES')) then 1140 basistype='nonodes' 1141 elseif(leqi(basistype,'SPLIT')) then 1142 basistype='split' 1144 basistype='splitgauss' 1145 elseif (leqi(basistype,'FILTERET')) then [all …]
|
H A D | basis_types.f | 174 character(len=10), save, public, pointer :: basistype(:) => null() 594 nullify( basistype ) 595 allocate(basistype(nsp)) 631 basistype(isp) = basp%basis_type 735 $ 'BasisType=', basistype(is), 'Semic=', semic(is) 747 if (basistype(is).eq.'filteret') then 832 deallocate( basistype )
|
H A D | initatom.f | 34 & cnfigmx, charge, smass, basistype, 144 & basistype(is), is, rinn(0:lmaxd,1:nsemx,is),
|
H A D | atom.F | 317 basistype_save(is) = basistype 595 if (basistype.ne.'user') then 6836 character basistype*(*) 6839 basistype='nodes' 6842 basistype='nonodes' 6845 basistype='split' 6848 basistype='splitgauss' 6851 basistype='filteret' 6854 basistype='user' 6889 character(len=10) basistype [all …]
|
/dports/science/lammps/lammps-stable_29Sep2021/src/SHOCK/ |
H A D | fix_append_atoms.cpp | 39 Fix(lmp, narg, arg), randomx(nullptr), randomt(nullptr), basistype(nullptr), in FixAppendAtoms() 70 basistype = new int[nbasis]; in FixAppendAtoms() 71 for (int i = 0; i < nbasis; i++) basistype[i] = 1; in FixAppendAtoms() 136 basistype[ibasis-1] = itype; in FixAppendAtoms() 211 delete [] basistype; in ~FixAppendAtoms() 497 atom->avec->create_atom(basistype[m],x); in pre_exchange()
|
H A D | fix_append_atoms.h | 46 int *basistype; variable
|
/dports/science/siesta/siesta-4.1.5/Util/Gen-basis/ |
H A D | gen-basis.F | 26 . cnfigmx, charge, smass, basistype, 112 $ smass(is), basistype(is), is,
|
/dports/science/py-pyscf/pyscf-2.0.1/pyscf/gto/basis/ |
H A D | parse_bfd_pp.py | 36 def parse(symb, basistype): argument 41 if bas_seg.startswith(basistype.lower()):
|
/dports/science/liggghts/LIGGGHTS-PUBLIC-3.8.0-26-g6e873439/src/ |
H A D | create_atoms.cpp | 147 basistype = new int[nbasis]; in command() 148 for (int i = 0; i < nbasis; i++) basistype[i] = itype; in command() 158 basistype[ibasis-1] = itype; in command() 277 if (domain->lattice) delete [] basistype; in command() 578 atom->avec->create_atom(basistype[m],x); in add_lattice()
|
H A D | create_atoms.h | 74 int *basistype;
|
/dports/science/lammps/lammps-stable_29Sep2021/src/ |
H A D | create_atoms.h | 39 int *basistype; variable
|
H A D | create_atoms.cpp | 56 CreateAtoms::CreateAtoms(LAMMPS *lmp) : Command(lmp), basistype(nullptr) {} in CreateAtoms() 140 basistype = new int[nbasis]; in command() 141 for (int i = 0; i < nbasis; i++) basistype[i] = ntype; in command() 150 basistype[ibasis-1] = itype; in command() 569 delete [] basistype; in command() 925 if (mode == ATOM) atom->avec->create_atom(basistype[m],x); in loop_lattice() 932 if (mode == ATOM) atom->avec->create_atom(basistype[m],x); in loop_lattice()
|
/dports/misc/qt5-l10n/kde-qttranslations-5.15.2p22/translations/ |
H A D | qtxmlpatterns_nl.ts | 886 <translation>%1 heeft verervingsloop in zijn basistype %2.</translation> 890 <translation>Circulaire verervingsloop van basistype %1.</translation> 910 <translation>Eenvoudig type %1 kan geen direct basistype %2 hebben.</translation> 914 <translation>Eenvoudig type %1 mag geen basistype %2 hebben.</translation> 950 <translation>Itemtype van basistype komt niet overeen met itemtype van %1.</translation> 1006 <translation>Complex type %1 kan niet worden afgeleid van basistype %2%3.</translation> 1078 <translation>%1-facet moet groter zijn dan %2-facet van het basistype.</translation> 1222 <translation>Attribuut %1 uit basistype ontbreekt in afgeleid type.</translation> 1422 <translation>%1 kan geen complex basistype zijn dat een %2 heeft.</translation> 1478 <translation>Attribuut %1 in %2 moet %3 gebruik hebben zoals in basistype %4..</translation> [all …]
|
H A D | qtxmlpatterns_nn.ts | 915 <translation>Sirkulær arv av basistype %1.</translation> 935 <translation>Enkel type %1 kan ikkje ha direkte basistype %2.</translation> 939 <translation>Enkel type %1 har ikkje lov til å ha basistype %2.</translation> 943 <translation>Enkel type %1 kan berre ha ein enkel atomær type som basistype.</translation> 975 … <translation>Elementtype for basistype er ikkje i samsvar med elementtypen til %1.</translation> 1031 <translation>Kompleks type %1 kan ikkje avleiast frå basistype %2%3.</translation> 1059 <translation>%1-fasett må ha same verdi som %2-fasett i basistype.</translation> 1063 <translation>%1-fasett må vera lik eller større enn %2-fasett i basistype.</translation> 1067 <translation>%1-fasett må vera mindre enn eller lik %2-fasett i basistype.</translation> 1447 <translation>%1 kan ikkje ha ein kompleks basistype som har ein %2.</translation> [all …]
|
/dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/lobster/ |
H A D | outputs.py | 793 basistype, 797 self.basis_type = basistype 947 basistype = [] 965 basistype.append(splitrow[1].replace("(", "").replace(")", "")) 972 return elements, basistype, basisfunctions
|
/dports/science/py-gpaw/gpaw-21.6.0/gpaw/atom/ |
H A D | basis.py | 538 basistype = get_basis_name(zetacount, polarizationcount) 540 compound_name = basistype 542 compound_name = '%s.%s' % (self.name, basistype)
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | atom_types.F | 392 INTEGER :: basistype, i, j, k, l, ll, m, ngp, nl, & local 420 CALL section_vals_val_get(basis_section, "BASIS_TYPE", i_val=basistype) 422 SELECT CASE (basistype)
|
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | atom_types.F | 392 INTEGER :: basistype, i, j, k, l, ll, m, ngp, nl, & local 420 CALL section_vals_val_get(basis_section, "BASIS_TYPE", i_val=basistype) 422 SELECT CASE (basistype)
|
/dports/devel/dconf-editor/dconf-editor-3.38.3/po/ |
H A D | da.po | 724 "En ordbog afbilder værdier af en basistype til værdier (af en hvilken som " 738 "En ordbog afbilder værdier af en basistype til værdier (af en hvilken som "
|
H A D | nl.po | 731 "Een woordenboek koppelt waarden van een basistype aan een andere waarde (van " 745 "Een woordenboek koppelt waarden van een basistype aan een andere waarde (van "
|
/dports/devel/godot/godot-3.2.3-stable/editor/translations/ |
H A D | da.po | 64 msgstr "Ugyldigt indeks af type %s for basistype %s" 68 msgstr "Ugyldigt navngivet indeks '%s' for basistype %s"
|
H A D | nb.po | 62 msgstr "Ugyldig indeks av type %s for basistype %s"
|
/dports/devel/godot-tools/godot-3.2.3-stable/editor/translations/ |
H A D | da.po | 64 msgstr "Ugyldigt indeks af type %s for basistype %s" 68 msgstr "Ugyldigt navngivet indeks '%s' for basistype %s"
|
H A D | nb.po | 62 msgstr "Ugyldig indeks av type %s for basistype %s"
|
/dports/games/tanglet/tanglet-1.6.0/wordlists/ |
H A D | nl | 20471 basistype
|