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Searched defs:lxyz (Results 1 – 25 of 56) sorted by relevance

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/dports/science/gabedit/GabeditSrc251_300720/src/Utils/
H A DZlm.c112 LXYZ* lxyz = zlm->lxyz; in setCoefZlm() local
207 LXYZ* lxyz = zlm->lxyz; in getValueZlm() local
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/aobasis/
H A Dorbital_symbols.F43 INTEGER, DIMENSION(3), INTENT(IN) :: lxyz local
/dports/science/cp2k-data/cp2k-7.1.0/src/aobasis/
H A Dorbital_symbols.F43 INTEGER, DIMENSION(3), INTENT(IN) :: lxyz local
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/tools/autotune_grid/
H A Dgenerate.f90115 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 Dl_utils.F80 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 Dgenerate.f90115 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 Dl_utils.F80 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 DJSONReader.java111 String[] lxyz = PT.split(atoms[i],":"); in readAtoms() local
/dports/science/qmcpack/qmcpack-3.11.0/nexus/lib/
H A Dgamess_analyzer.py39 lxyz = obj( variable in GamessAnalyzer
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/NWints/hondo/
H A Dhnd_oechrg.F4 & 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 Dmesh_cube_parallel_map.F9076 integer :: im, ip, nn, ii, ixyz(3), lxyz(3), ipos, cube_np local
H A Dindex.F9050 integer, allocatable :: lxyz(:,:) !< return x, y and z for each point component
H A Dcube.F90379 integer, intent(out) :: lxyz(3) !< local coordinates local
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/grid/
H A Dxyz_to_vab_optimised.F390 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 Dintegrate_fast_2.f9029 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 Dintegrate_fast_5.f9029 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 Dxyz_to_vab_optimised.F390 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 Dintegrate_fast_2.f9029 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 Dintegrate_fast_5.f9029 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 Dcollocate_fast_3.f9029 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 Dxyz_to_vab_optimised.F283 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 Dxyz_to_vab_optimised.F283 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 Ddft_frozemb.F23 integer ixyz, lxyz, icharge, lcharge, itags, ltags local
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/util/
H A Ddft_frozemb.F23 integer ixyz, lxyz, icharge, lcharge, itags, ltags local
/dports/science/bagel/bagel-1.2.2/src/integral/ecp/
H A Dangularbatch.cc307 void AngularBatch::print_one_centre(array<double, 3> posA, const array<int, 3> lxyz, const double e… in print_one_centre()

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