Searched refs:zetanuc (Results 1 – 4 of 4) sorted by relevance
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/zora/ |
| H A D | calc_zora_HFine.F | 796 double precision atmass,zetanuc
803 call get_znuc(atmass,zetanuc)
810 rtemp = zetanuc*ac_prod ! dist*dist
878 subroutine get_znuc(atmass, zetanuc) argument
888 & fm2bohr,zetanuc,rtemp
898 zetanuc = three / ( two * (rtemp**2))
921 & atmass,zetanuc
926 call get_znuc(atmass,zetanuc)
927 zetanuc_arr(i)=zetanuc
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/zora/ |
| H A D | calc_zora_HFine.F | 796 double precision atmass,zetanuc
803 call get_znuc(atmass,zetanuc)
810 rtemp = zetanuc*ac_prod ! dist*dist
878 subroutine get_znuc(atmass, zetanuc) argument
887 & fm2bohr,zetanuc,rtemp
896 zetanuc = three / ( two * (rtemp**2))
919 & atmass,zetanuc
924 call get_znuc(atmass,zetanuc)
925 zetanuc_arr(i)=zetanuc
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| /dports/science/nwchem-data/nwchem-7.0.2-release/QA/tests/cho_bp_zora_finite/ |
| H A D | cho_bp_zora_finite.out | 845 heap block 'zetanuc', handle 25, address 0x2b4ab9d1bd08:
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/QA/tests/cho_bp_zora_finite/ |
| H A D | cho_bp_zora_finite.out | 845 heap block 'zetanuc', handle 25, address 0x2b4ab9d1bd08:
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