/dports/science/gabedit/GabeditSrc251_300720/src/Utils/ |
H A D | Zlm.c | 112 LXYZ* lxyz = zlm->lxyz; in setCoefZlm() local 207 LXYZ* lxyz = zlm->lxyz; in getValueZlm() local
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/ |
H A D | orbital_symbols.F | 43 INTEGER, DIMENSION(3), INTENT(IN) :: lxyz local
|
/dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/ |
H A D | orbital_symbols.F | 43 INTEGER, DIMENSION(3), INTENT(IN) :: lxyz local
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/autotune_grid/ |
H A D | generate.f90 | 115 INTEGER :: lxp,lyp,lzp,lxy,lxyz local 147 INTEGER :: lzp,lxy,lxyz local 688 INTEGER :: lxp,lyp,lzp,lxy,lxyz local 719 INTEGER :: lzp,lxy,lxyz local
|
H A D | l_utils.F | 80 lxb, lxyz, lya, lyb, lza, lzb local 293 lxb, lxy, lxyz, lya, lyb, & local
|
/dports/science/cp2k-data/cp2k-7.1.0/tools/autotune_grid/ |
H A D | generate.f90 | 115 INTEGER :: lxp,lyp,lzp,lxy,lxyz local 147 INTEGER :: lzp,lxy,lxyz local 688 INTEGER :: lxp,lyp,lzp,lxy,lxyz local 719 INTEGER :: lzp,lxy,lxyz local
|
H A D | l_utils.F | 80 lxb, lxyz, lya, lyb, lza, lzb local 293 lxb, lxy, lxyz, lya, lyb, & local
|
/dports/science/jmol/jmol-14.32.7/src/org/jmol/adapter/readers/simple/ |
H A D | JSONReader.java | 111 String[] lxyz = PT.split(atoms[i],":"); in readAtoms() local
|
/dports/science/qmcpack/qmcpack-3.11.0/nexus/lib/ |
H A D | gamess_analyzer.py | 39 lxyz = obj( variable in GamessAnalyzer
|
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/hondo/ |
H A D | hnd_oechrg.F | 4 & lxyz,lprim,lcoef,l_prim,l_gen,ll) argument 23 double precision lxyz(3),lprim(l_prim),lcoef(l_prim,l_gen) local
|
/dports/science/octopus/octopus-10.5/src/grid/ |
H A D | mesh_cube_parallel_map.F90 | 76 integer :: im, ip, nn, ii, ixyz(3), lxyz(3), ipos, cube_np local
|
H A D | index.F90 | 50 integer, allocatable :: lxyz(:,:) !< return x, y and z for each point component
|
H A D | cube.F90 | 379 integer, intent(out) :: lxyz(3) !< local coordinates local
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/grid/ |
H A D | xyz_to_vab_optimised.F | 390 INTEGER :: ico, jco, lxa, lxb, lxp, lxyz, lyp local 600 INTEGER :: ico, jco, lxa, lxb, lxp, lxyz, lyp, lzp local 847 INTEGER :: ico, jco, lxa, lxb, lxp, lxyz, lyp, lzp local 1199 INTEGER :: ico, jco, lxa, lxb, lxp, lxyz, lyp, lzp local 1678 INTEGER :: ico, jco, lxa, lxb, lxp, lxyz, lyp local 1895 INTEGER :: ico, jco, lxa, lxb, lxp, lxyz, lyp, lzp local 2246 INTEGER :: ico, jco, lxa, lxb, lxp, lxyz, lyp, lzp local 2842 INTEGER :: ico, jco, lxa, lxb, lxp, lxyz, lyp, lzp local 3903 INTEGER :: ico, jco, lxa, lxb, lxp, lxyz, lyp, lzp local 4181 INTEGER :: ico, jco, lxa, lxb, lxp, lxyz, lyp, lzp local [all …]
|
H A D | integrate_fast_2.f90 | 29 kg2, kgmin, lxp, lxy, lxyz, & local 298 kg2, kgmin, lxp, lxy, lxyz, & local 392 kg2, kgmin, lxp, lxy, lxyz, & local 664 kg2, kgmin, lxp, lxy, lxyz, & local 788 kg2, kgmin, lxp, lxy, lxyz, & local 926 kg2, kgmin, lxp, lxy, lxyz, & local 1080 kg2, kgmin, lxp, lxy, lxyz, & local 1252 kg2, kgmin, lxp, lxy, lxyz, & local
|
H A D | integrate_fast_5.f90 | 29 kg2, kgmin, lxp, lxy, lxyz, & local 207 kg2, kgmin, lxp, lxy, lxyz, & local 1196 kg2, kgmin, lxp, lxy, lxyz, & local 1354 kg2, kgmin, lxp, lxy, lxyz, & local 1530 kg2, kgmin, lxp, lxy, lxyz, & local
|
/dports/science/cp2k-data/cp2k-7.1.0/src/grid/ |
H A D | xyz_to_vab_optimised.F | 390 INTEGER :: ico, jco, lxa, lxb, lxp, lxyz, lyp local 600 INTEGER :: ico, jco, lxa, lxb, lxp, lxyz, lyp, lzp local 847 INTEGER :: ico, jco, lxa, lxb, lxp, lxyz, lyp, lzp local 1199 INTEGER :: ico, jco, lxa, lxb, lxp, lxyz, lyp, lzp local 1678 INTEGER :: ico, jco, lxa, lxb, lxp, lxyz, lyp local 1895 INTEGER :: ico, jco, lxa, lxb, lxp, lxyz, lyp, lzp local 2246 INTEGER :: ico, jco, lxa, lxb, lxp, lxyz, lyp, lzp local 2842 INTEGER :: ico, jco, lxa, lxb, lxp, lxyz, lyp, lzp local 3903 INTEGER :: ico, jco, lxa, lxb, lxp, lxyz, lyp, lzp local 4181 INTEGER :: ico, jco, lxa, lxb, lxp, lxyz, lyp, lzp local [all …]
|
H A D | integrate_fast_2.f90 | 29 kg2, kgmin, lxp, lxy, lxyz, & local 298 kg2, kgmin, lxp, lxy, lxyz, & local 392 kg2, kgmin, lxp, lxy, lxyz, & local 664 kg2, kgmin, lxp, lxy, lxyz, & local 788 kg2, kgmin, lxp, lxy, lxyz, & local 926 kg2, kgmin, lxp, lxy, lxyz, & local 1080 kg2, kgmin, lxp, lxy, lxyz, & local 1252 kg2, kgmin, lxp, lxy, lxyz, & local
|
H A D | integrate_fast_5.f90 | 29 kg2, kgmin, lxp, lxy, lxyz, & local 207 kg2, kgmin, lxp, lxy, lxyz, & local 1196 kg2, kgmin, lxp, lxy, lxyz, & local 1354 kg2, kgmin, lxp, lxy, lxyz, & local 1530 kg2, kgmin, lxp, lxy, lxyz, & local
|
H A D | collocate_fast_3.f90 | 29 kg2, kgmin, lxp, lxy, lxyz, & local 207 kg2, kgmin, lxp, lxy, lxyz, & local 517 kg2, kgmin, lxp, lxy, lxyz, & local 674 kg2, kgmin, lxp, lxy, lxyz, & local
|
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/autotune_grid/xyz_to_vab/ |
H A D | xyz_to_vab_optimised.F | 283 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb local 325 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb local 536 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb local 781 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb local 1135 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb local 1622 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb local 1837 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb local 2185 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb local 2784 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb local 3707 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb local [all …]
|
/dports/science/cp2k-data/cp2k-7.1.0/tools/autotune_grid/xyz_to_vab/ |
H A D | xyz_to_vab_optimised.F | 283 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb local 325 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb local 536 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb local 781 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb local 1135 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb local 1622 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb local 1837 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb local 2185 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb local 2784 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb local 3707 INTEGER :: ico,jco,lxa,lxb,lxp,lxyz,lyp,lzp, iaxis, l, k, lya,lyb,lza,lzb local [all …]
|
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/util/ |
H A D | dft_frozemb.F | 23 integer ixyz, lxyz, icharge, lcharge, itags, ltags local
|
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/util/ |
H A D | dft_frozemb.F | 23 integer ixyz, lxyz, icharge, lcharge, itags, ltags local
|
/dports/science/bagel/bagel-1.2.2/src/integral/ecp/ |
H A D | angularbatch.cc | 307 void AngularBatch::print_one_centre(array<double, 3> posA, const array<int, 3> lxyz, const double e… in print_one_centre()
|