Searched defs:pxc_atom (Results 1 – 8 of 8) sorted by relevance
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/cgsd/ |
| H A D | paw_nominimize.F | 43 double precision exc_atom,pxc_atom local
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| H A D | paw_cgminimize.F | 63 double precision exc_atom,pxc_atom local
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| H A D | paw_bfgsminimize.F | 63 double precision exc_atom,pxc_atom local
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cgsd/ |
| H A D | cgminimize.F | 50 real*8 exc_atom,pxc_atom,ehartree_atom,ecmp_cmp,ecmp_pw local
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| H A D | bfgsminimize.F | 55 real*8 exc_atom,pxc_atom,ehartree_atom,ecmp_cmp,ecmp_pw local
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/ |
| H A D | inner_loop.F | 67 real*8 ehartree_atom,ecmp_cmp,ecmp_pw,exc_atom,pxc_atom local
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| H A D | inner_loop_md.F | 73 real*8 ehartree_atom,ecmp_cmp,ecmp_pw,exc_atom,pxc_atom local
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/electron/ |
| H A D | electron.F | 382 real*8 ehartree_atom,ecmp_cmp,ecmp_pw,exc_atom,pxc_atom,eke_core local
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