| /dports/science/siesta/siesta-4.1.5/Util/Macroave/Src/ |
| H A D | defs_common.f90 | 115 & ntypalch,ntype,ntyppure,occopt,optcell,optdriver,ortalg,parareel,paw,pawgratio,& component
255 integer :: nspinor,nsppol,nsym,ntype,occopt ! input variables component
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/rdmft/recycling/wfn1/ |
| H A D | wfn1_energy.F | 59 logical occopt ! .true. then optimize occupation functions to local
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/gw/Transfer/ |
| H A D | rwgw.f90 | 16 & nspden,nspinor,nsppol,nsym,ntypat,occopt,pertcase,usepaw variable
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| H A D | rspfn.f90 | 14 & nspden,nspinor,nsppol,nsym,ntypat,occopt,pertcase,usepaw variable
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/gw/Transfer/ |
| H A D | rwgw.f90 | 16 & nspden,nspinor,nsppol,nsym,ntypat,occopt,pertcase,usepaw variable
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| H A D | rspfn.f90 | 14 & nspden,nspinor,nsppol,nsym,ntypat,occopt,pertcase,usepaw variable
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| /dports/science/py-pymatgen/pymatgen-2022.0.15/pymatgen/io/abinit/ |
| H A D | abiobjects.py | 436 def __init__(self, occopt, tsmear): argument
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| /dports/science/qwalk/mainline-1.0.1-300-g1b7e381/src/converter/ |
| H A D | abinit2qmc.cpp | 381 int nspinor,nsppol,nsym,ntypat,occopt,pertcase,usepaw; in read_wfk() local
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| /dports/science/py-pymol/pymol-open-source-2.4.0/contrib/uiuc/plugins/molfile_plugin/src/ |
| H A D | abinitplugin.c | 99 nspden, nspinor, nsppol, nsym, ntypat, occopt, pertcase, usepaw; member
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| /dports/science/berkeleygw/BGW-2.0.0/MeanField/ABINIT/ |
| H A D | read_abi.f90 | 556 integer :: occopt,pertcase,usepaw local
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