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Searched refs:lattice_unitg_small (Results 1 – 12 of 12) sorted by relevance

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/lattice/
H A DG_init.F64 real*8 lattice_unitg,lattice_unitg_small
66 external lattice_unitg,lattice_unitg_small
157 g1 = dk1*lattice_unitg_small(1,1)
158 > + dk2*lattice_unitg_small(1,2)
159 > + dk3*lattice_unitg_small(1,3)
160 g2 = dk1*lattice_unitg_small(2,1)
161 > + dk2*lattice_unitg_small(2,2)
162 > + dk3*lattice_unitg_small(2,3)
163 g3 = dk1*lattice_unitg_small(3,1)
164 > + dk2*lattice_unitg_small(3,2)
[all …]
H A Dlattice.f657 real*8 function lattice_unitg_small(i,j)
668 lattice_unitg_small = unitg_small(i,j)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/lattice/
H A DG_init.F64 real*8 lattice_unitg,lattice_unitg_small
66 external lattice_unitg,lattice_unitg_small
157 g1 = dk1*lattice_unitg_small(1,1)
158 > + dk2*lattice_unitg_small(1,2)
159 > + dk3*lattice_unitg_small(1,3)
160 g2 = dk1*lattice_unitg_small(2,1)
161 > + dk2*lattice_unitg_small(2,2)
162 > + dk3*lattice_unitg_small(2,3)
163 g3 = dk1*lattice_unitg_small(3,1)
164 > + dk2*lattice_unitg_small(3,2)
[all …]
H A Dlattice.f657 real*8 function lattice_unitg_small(i,j)
668 lattice_unitg_small = unitg_small(i,j)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cgsd/
H A Dcgsdv5.F168 real*8 lattice_unita_small,lattice_unitg_small
170 external lattice_unita_small,lattice_unitg_small
523 write(luout,1244) lattice_unitg_small(1,1),
524 > lattice_unitg_small(2,1),
525 > lattice_unitg_small(3,1)
526 write(luout,1245) lattice_unitg_small(1,2),
527 > lattice_unitg_small(2,2),
528 > lattice_unitg_small(3,2)
529 write(luout,1246) lattice_unitg_small(1,3),
530 > lattice_unitg_small(2,3),
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cgsd/
H A Dcgsdv5.F174 real*8 lattice_unita_small,lattice_unitg_small
176 external lattice_unita_small,lattice_unitg_small
537 write(luout,1244) lattice_unitg_small(1,1),
538 > lattice_unitg_small(2,1),
539 > lattice_unitg_small(3,1)
540 write(luout,1245) lattice_unitg_small(1,2),
541 > lattice_unitg_small(2,2),
542 > lattice_unitg_small(3,2)
543 write(luout,1246) lattice_unitg_small(1,3),
544 > lattice_unitg_small(2,3),
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cpsd/
H A Dcpsdv5.F116 real*8 lattice_unitg,lattice_unitg_small,lattice_unita_small
123 external lattice_unitg,lattice_unitg_small,lattice_unita_small
650 write(luout,1244) lattice_unitg_small(1,1),
651 > lattice_unitg_small(2,1),
652 > lattice_unitg_small(3,1)
653 write(luout,1245) lattice_unitg_small(1,2),
654 > lattice_unitg_small(2,2),
655 > lattice_unitg_small(3,2)
656 write(luout,1246) lattice_unitg_small(1,3),
657 > lattice_unitg_small(2,3),
[all …]
H A Dcpmdv5.F114 real*8 lattice_unitg,lattice_unitg_small,lattice_unita_small
121 external lattice_unitg,lattice_unitg_small,lattice_unita_small
646 write(luout,1244) lattice_unitg_small(1,1),
647 > lattice_unitg_small(2,1),
648 > lattice_unitg_small(3,1)
649 write(luout,1245) lattice_unitg_small(1,2),
650 > lattice_unitg_small(2,2),
651 > lattice_unitg_small(3,2)
652 write(luout,1246) lattice_unitg_small(1,3),
653 > lattice_unitg_small(2,3),
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/
H A Dcpsdv5.F116 real*8 lattice_unitg,lattice_unitg_small,lattice_unita_small local
123 external lattice_unitg,lattice_unitg_small,lattice_unita_small
691 write(luout,1244) lattice_unitg_small(1,1),
692 > lattice_unitg_small(2,1),
693 > lattice_unitg_small(3,1)
694 write(luout,1245) lattice_unitg_small(1,2),
695 > lattice_unitg_small(2,2),
696 > lattice_unitg_small(3,2)
697 write(luout,1246) lattice_unitg_small(1,3),
698 > lattice_unitg_small(2,3),
[all …]
H A Dcpmdv5.F115 real*8 lattice_unitg,lattice_unitg_small,lattice_unita_small local
122 external lattice_unitg,lattice_unitg_small,lattice_unita_small
664 write(luout,1244) lattice_unitg_small(1,1),
665 > lattice_unitg_small(2,1),
666 > lattice_unitg_small(3,1)
667 write(luout,1245) lattice_unitg_small(1,2),
668 > lattice_unitg_small(2,2),
669 > lattice_unitg_small(3,2)
670 write(luout,1246) lattice_unitg_small(1,3),
671 > lattice_unitg_small(2,3),
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/D3dB/
H A DD3dB_pfft.F50 real*8 lattice_unitg_small
53 external lattice_unitg_small
141 unitg(1,1) = lattice_unitg_small(1,1)
142 unitg(2,1) = lattice_unitg_small(2,1)
143 unitg(3,1) = lattice_unitg_small(3,1)
144 unitg(1,2) = lattice_unitg_small(1,2)
145 unitg(2,2) = lattice_unitg_small(2,2)
146 unitg(3,2) = lattice_unitg_small(3,2)
147 unitg(1,3) = lattice_unitg_small(1,3)
148 unitg(2,3) = lattice_unitg_small(2,3)
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/D3dB/
H A DD3dB_pfft.F50 real*8 lattice_unitg_small
53 external lattice_unitg_small
141 unitg(1,1) = lattice_unitg_small(1,1)
142 unitg(2,1) = lattice_unitg_small(2,1)
143 unitg(3,1) = lattice_unitg_small(3,1)
144 unitg(1,2) = lattice_unitg_small(1,2)
145 unitg(2,2) = lattice_unitg_small(2,2)
146 unitg(3,2) = lattice_unitg_small(3,2)
147 unitg(1,3) = lattice_unitg_small(1,3)
148 unitg(2,3) = lattice_unitg_small(2,3)
[all …]