/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/lattice/ |
H A D | G_init.F | 64 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 …]
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H A D | lattice.f | 657 real*8 function lattice_unitg_small(i,j) 668 lattice_unitg_small = unitg_small(i,j)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/lattice/ |
H A D | G_init.F | 64 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 …]
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H A D | lattice.f | 657 real*8 function lattice_unitg_small(i,j) 668 lattice_unitg_small = unitg_small(i,j)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cgsd/ |
H A D | cgsdv5.F | 168 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cgsd/ |
H A D | cgsdv5.F | 174 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cpsd/ |
H A D | cpsdv5.F | 116 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 …]
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H A D | cpmdv5.F | 114 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/ |
H A D | cpsdv5.F | 116 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 …]
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H A D | cpmdv5.F | 115 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/D3dB/ |
H A D | D3dB_pfft.F | 50 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/D3dB/ |
H A D | D3dB_pfft.F | 50 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 …]
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