| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/tce/ |
| H A D | tce_mo2e_incore_2eorb.F | 111 integer offset_ismall,length_a4,key_ini
482 offset_ismall=0
503 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
666 offset_ismall=0
703 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
813 offset_ismall=0
855 & 1.0d0,dbl_mb(k_integral+offset_ismall),
880 offset_ismall=offset_ismall+nalength(azone1)*nalength(i)*
1084 offset_ismall=0
1103 & 1.0d0,dbl_mb(k_integral+offset_ismall),
[all …]
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| H A D | tce_ao2e_cholesky_orb.F | 108 integer offset_ismall,length_a4,key_ini local
622 offset_ismall=0
643 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
892 offset_ismall=0
929 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1091 offset_ismall=0
1133 & 1.0d0,dbl_mb(k_integral+offset_ismall),
1158 offset_ismall=offset_ismall+nalength(azone1)*nalength(i)*
1417 offset_ismall=0
1436 & 1.0d0,dbl_mb(k_integral+offset_ismall),
[all …]
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| H A D | tce_mo2e_zones_4a_disk_4s_new_patch.F | 108 integer offset_ismall,length_a4,key_ini
624 offset_ismall=0
645 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
894 offset_ismall=0
931 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1093 offset_ismall=0
1135 & 1.0d0,dbl_mb(k_integral+offset_ismall),
1160 offset_ismall=offset_ismall+nalength(azone1)*nalength(i)*
1419 offset_ismall=0
1438 & 1.0d0,dbl_mb(k_integral+offset_ismall),
[all …]
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| H A D | tce_mo2e_zones_4a_disk_4s_new_patch_m3.F | 108 integer offset_ismall,length_a4,key_ini
925 offset_ismall=0
943 & dbl_mb(k_integral+offset_ismall),nalength(i),1.0d0,
946 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1221 offset_ismall=0
1228 CALL TCE_SORT_4KG_(dbl_mb(k_integral+offset_ismall),
1255 & dbl_mb(k_integral+offset_ismall),nalength(i),1.0d0,
1258 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1686 offset_ismall=0
1705 & 1.0d0,dbl_mb(k_integral+offset_ismall),
[all …]
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| H A D | tce_mo2e_disk_2eorb.F | 108 integer offset_ismall,length_a4,key_ini
909 offset_ismall=0
927 & dbl_mb(k_integral+offset_ismall),nalength(i),1.0d0,
930 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1200 offset_ismall=0
1207 CALL TCE_SORT_4KG_(dbl_mb(k_integral+offset_ismall),
1234 & dbl_mb(k_integral+offset_ismall),nalength(i),1.0d0,
1237 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1659 offset_ismall=0
1678 & 1.0d0,dbl_mb(k_integral+offset_ismall),
[all …]
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| H A D | tce_mo2e_incore_2eorb_split.F | 109 integer offset_ismall,length_a4,key_ini
823 offset_ismall=0
841 & dbl_mb(k_integral+offset_ismall),nalength(i),1.0d0,
844 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1129 offset_ismall=0
1136 CALL TCE_SORT_4KG_(dbl_mb(k_integral+offset_ismall),
1163 & dbl_mb(k_integral+offset_ismall),nalength(i),1.0d0,
1166 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1615 offset_ismall=0
1634 & 1.0d0,dbl_mb(k_integral+offset_ismall),
[all …]
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| H A D | tce_mo2e_hybrid_2eorb_split.F | 109 integer offset_ismall,length_a4,key_ini
912 offset_ismall=0
930 & dbl_mb(k_integral+offset_ismall),nalength(i),1.0d0,
933 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1202 offset_ismall=0
1209 CALL TCE_SORT_4KG_(dbl_mb(k_integral+offset_ismall),
1236 & dbl_mb(k_integral+offset_ismall),nalength(i),1.0d0,
1239 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1656 offset_ismall=0
1675 & 1.0d0,dbl_mb(k_integral+offset_ismall),
[all …]
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| H A D | tce_mo2e_zones_4a_disk_4s_new_patch_m2.F | 108 integer offset_ismall,length_a4,key_ini
912 offset_ismall=0
930 & dbl_mb(k_integral+offset_ismall),nalength(i),1.0d0,
933 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1202 offset_ismall=0
1209 CALL TCE_SORT_4KG_(dbl_mb(k_integral+offset_ismall),
1236 & dbl_mb(k_integral+offset_ismall),nalength(i),1.0d0,
1239 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1656 offset_ismall=0
1675 & 1.0d0,dbl_mb(k_integral+offset_ismall),
[all …]
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/tce/ |
| H A D | tce_mo2e_incore_2eorb.F | 111 integer offset_ismall,length_a4,key_ini
482 offset_ismall=0
503 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
666 offset_ismall=0
703 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
813 offset_ismall=0
855 & 1.0d0,dbl_mb(k_integral+offset_ismall),
880 offset_ismall=offset_ismall+nalength(azone1)*nalength(i)*
1084 offset_ismall=0
1103 & 1.0d0,dbl_mb(k_integral+offset_ismall),
[all …]
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| H A D | tce_ao2e_cholesky_orb.F | 108 integer offset_ismall,length_a4,key_ini
622 offset_ismall=0
643 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
892 offset_ismall=0
929 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1091 offset_ismall=0
1133 & 1.0d0,dbl_mb(k_integral+offset_ismall),
1158 offset_ismall=offset_ismall+nalength(azone1)*nalength(i)*
1417 offset_ismall=0
1436 & 1.0d0,dbl_mb(k_integral+offset_ismall),
[all …]
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| H A D | tce_mo2e_zones_4a_disk_4s_new_patch.F | 108 integer offset_ismall,length_a4,key_ini
624 offset_ismall=0
645 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
894 offset_ismall=0
931 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1093 offset_ismall=0
1135 & 1.0d0,dbl_mb(k_integral+offset_ismall),
1160 offset_ismall=offset_ismall+nalength(azone1)*nalength(i)*
1419 offset_ismall=0
1438 & 1.0d0,dbl_mb(k_integral+offset_ismall),
[all …]
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| H A D | tce_mo2e_disk_2eorb.F | 108 integer offset_ismall,length_a4,key_ini
909 offset_ismall=0
927 & dbl_mb(k_integral+offset_ismall),nalength(i),1.0d0,
930 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1200 offset_ismall=0
1207 CALL TCE_SORT_4KG_(dbl_mb(k_integral+offset_ismall),
1234 & dbl_mb(k_integral+offset_ismall),nalength(i),1.0d0,
1237 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1659 offset_ismall=0
1678 & 1.0d0,dbl_mb(k_integral+offset_ismall),
[all …]
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| H A D | tce_mo2e_zones_4a_disk_4s_new_patch_m3.F | 108 integer offset_ismall,length_a4,key_ini
925 offset_ismall=0
943 & dbl_mb(k_integral+offset_ismall),nalength(i),1.0d0,
946 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1221 offset_ismall=0
1228 CALL TCE_SORT_4KG_(dbl_mb(k_integral+offset_ismall),
1255 & dbl_mb(k_integral+offset_ismall),nalength(i),1.0d0,
1258 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1686 offset_ismall=0
1705 & 1.0d0,dbl_mb(k_integral+offset_ismall),
[all …]
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| H A D | tce_mo2e_zones_4a_disk_4s_new_patch_m2.F | 108 integer offset_ismall,length_a4,key_ini
912 offset_ismall=0
930 & dbl_mb(k_integral+offset_ismall),nalength(i),1.0d0,
933 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1202 offset_ismall=0
1209 CALL TCE_SORT_4KG_(dbl_mb(k_integral+offset_ismall),
1236 & dbl_mb(k_integral+offset_ismall),nalength(i),1.0d0,
1239 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1656 offset_ismall=0
1675 & 1.0d0,dbl_mb(k_integral+offset_ismall),
[all …]
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| H A D | tce_mo2e_hybrid_2eorb_split.F | 109 integer offset_ismall,length_a4,key_ini
912 offset_ismall=0
930 & dbl_mb(k_integral+offset_ismall),nalength(i),1.0d0,
933 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1202 offset_ismall=0
1209 CALL TCE_SORT_4KG_(dbl_mb(k_integral+offset_ismall),
1236 & dbl_mb(k_integral+offset_ismall),nalength(i),1.0d0,
1239 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1656 offset_ismall=0
1675 & 1.0d0,dbl_mb(k_integral+offset_ismall),
[all …]
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| H A D | tce_mo2e_incore_2eorb_split.F | 109 integer offset_ismall,length_a4,key_ini
823 offset_ismall=0
841 & dbl_mb(k_integral+offset_ismall),nalength(i),1.0d0,
844 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1129 offset_ismall=0
1136 CALL TCE_SORT_4KG_(dbl_mb(k_integral+offset_ismall),
1163 & dbl_mb(k_integral+offset_ismall),nalength(i),1.0d0,
1166 offset_ismall=offset_ismall+nalength(azone1)*nalength(azone2)*
1615 offset_ismall=0
1634 & 1.0d0,dbl_mb(k_integral+offset_ismall),
[all …]
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