| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/psp/ |
| H A D | semicore.F | 211 real*8 lattice_omega
213 external lattice_omega
306 real*8 lattice_omega
308 external lattice_omega
501 real*8 lattice_omega
503 external lattice_omega
695 real*8 lattice_omega
696 external lattice_omega
738 real*8 lattice_omega
739 external lattice_omega
[all …]
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| H A D | MOTION.F | 46 real*8 lattice_omega
48 external lattice_omega
155 real*8 ion_rion,ion_vion,lattice_omega,lattice_unita
156 external ion_rion,ion_vion,lattice_omega,lattice_unita
167 > lattice_omega(),
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| H A D | psp_cmp_dE_Qlm.F | 24 real*8 lattice_omega
25 external lattice_omega
35 omega = lattice_omega()
75 dv = lattice_omega()*scal1
138 real*8 lattice_omega
139 external lattice_omega
150 omega = lattice_omega()
208 dv = lattice_omega()*scal1
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/psp/ |
| H A D | semicore.F | 211 real*8 lattice_omega
213 external lattice_omega
306 real*8 lattice_omega
308 external lattice_omega
501 real*8 lattice_omega
503 external lattice_omega
695 real*8 lattice_omega
696 external lattice_omega
738 real*8 lattice_omega
739 external lattice_omega
[all …]
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| H A D | MOTION.F | 46 real*8 lattice_omega
48 external lattice_omega
155 real*8 ion_rion,ion_vion,lattice_omega,lattice_unita
156 external ion_rion,ion_vion,lattice_omega,lattice_unita
167 > lattice_omega(),
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| H A D | psp_cmp_dE_Qlm.F | 24 real*8 lattice_omega
25 external lattice_omega
35 omega = lattice_omega()
75 dv = lattice_omega()*scal1
138 real*8 lattice_omega
139 external lattice_omega
150 omega = lattice_omega()
208 dv = lattice_omega()*scal1
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/exchange-correlation/ |
| H A D | nwpw_meta_gga.F | 142 real*8 lattice_omega local
143 external lattice_omega
152 scal2 = 0.5d0/lattice_omega()
239 real*8 lattice_omega local
240 external lattice_omega
252 scal2 = 1.0d0/lattice_omega()
346 real*8 lattice_omega local
347 external lattice_omega
418 dV = lattice_omega()/dble(nx*ny*nz)
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/exchange-correlation/ |
| H A D | nwpw_meta_gga.F | 138 real*8 lattice_omega
139 external lattice_omega
149 scal2 = 0.5d0/lattice_omega()
233 real*8 lattice_omega
234 external lattice_omega
246 scal2 = 1.0d0/lattice_omega()
335 real*8 lattice_omega
336 external lattice_omega
407 dV = lattice_omega()/dble(nx*ny*nz)
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_psi/ |
| H A D | paw_electron.F | 411 real*8 lattice_omega local
412 external lattice_omega
483 real*8 lattice_omega local
484 external lattice_omega
533 real*8 lattice_omega local
534 external lattice_omega
581 real*8 lattice_omega local
582 external lattice_omega
1301 real*8 lattice_omega
1302 external lattice_omega
[all …]
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| H A D | paw_psi_H.F | 58 real*8 lattice_omega local
59 external lattice_omega
77 scal2 = 1.0d0/lattice_omega()
205 real*8 lattice_omega local
206 external lattice_omega
224 scal2 = 1.0d0/lattice_omega()
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_psi/ |
| H A D | paw_electron.F | 411 real*8 lattice_omega
412 external lattice_omega
483 real*8 lattice_omega
484 external lattice_omega
533 real*8 lattice_omega
534 external lattice_omega
581 real*8 lattice_omega
582 external lattice_omega
1301 real*8 lattice_omega
1302 external lattice_omega
[all …]
|
| H A D | paw_psi_H.F | 58 real*8 lattice_omega
59 external lattice_omega
77 scal2 = 1.0d0/lattice_omega()
205 real*8 lattice_omega
206 external lattice_omega
224 scal2 = 1.0d0/lattice_omega()
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/lib/electron/ |
| H A D | cpsi_H.F | 46 real*8 lattice_omega
50 external lattice_omega
60 scal2 = 1.0d0/lattice_omega()
253 real*8 lattice_omega
257 external lattice_omega
393 real*8 lattice_omega
395 external lattice_omega
500 real*8 lattice_omega
503 external lattice_omega
617 real*8 lattice_omega
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/electron/ |
| H A D | electron.F | 788 real*8 lattice_omega local
789 external lattice_omega
829 real*8 lattice_omega local
830 external lattice_omega
886 real*8 lattice_omega local
887 external lattice_omega
939 real*8 lattice_omega local
940 external lattice_omega
2002 real*8 lattice_omega
2004 external lattice_omega
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/electron/ |
| H A D | electron.F | 674 real*8 lattice_omega
675 external lattice_omega
715 real*8 lattice_omega
716 external lattice_omega
772 real*8 lattice_omega
773 external lattice_omega
825 real*8 lattice_omega
826 external lattice_omega
1787 real*8 lattice_omega
1789 external lattice_omega
[all …]
|
| H A D | psi_H.F | 70 real*8 lattice_omega
74 external lattice_omega
114 scal2 = 1.0d0/lattice_omega()
318 real*8 lattice_omega
321 external lattice_omega
488 real*8 lattice_omega
491 external lattice_omega
660 real*8 lattice_omega
662 external lattice_omega
684 scal2 = 1.0d0/lattice_omega()
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/lib/electron/ |
| H A D | cpsi_H.F | 46 real*8 lattice_omega
50 external lattice_omega
60 scal2 = 1.0d0/lattice_omega()
247 real*8 lattice_omega
251 external lattice_omega
387 real*8 lattice_omega
389 external lattice_omega
494 real*8 lattice_omega
497 external lattice_omega
510 scal2 = 1.0d0/lattice_omega()
|
| H A D | c_electron.F | 587 real*8 lattice_omega
588 external lattice_omega
632 real*8 lattice_omega
633 external lattice_omega
679 real*8 lattice_omega
680 external lattice_omega
1220 scal2 = 1.0d0/lattice_omega()
1342 real*8 lattice_omega
1344 external lattice_omega
1413 real*8 lattice_omega
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lcao/ |
| H A D | lcao_init_dn.F | 26 real*8 aorbs_weight,lattice_omega,util_random
28 external aorbs_weight,lattice_omega,util_random
37 scal2 = 1.0d0/lattice_omega()
38 dv = scal1*lattice_omega()
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lcao/ |
| H A D | lcao_init_dn.F | 26 real*8 aorbs_weight,lattice_omega,util_random
28 external aorbs_weight,lattice_omega,util_random
37 scal2 = 1.0d0/lattice_omega()
38 dv = scal1*lattice_omega()
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/coulomb/ |
| H A D | coulomb_screened.F | 488 real*8 lattice_omega local
489 external lattice_omega
500 ec = 0.5d0*ec*lattice_omega()
531 real*8 lattice_omega local
532 external lattice_omega
571 real*8 lattice_omega local
572 external lattice_omega
582 ec = 0.5d0*ec*lattice_omega()
611 real*8 lattice_omega local
612 external lattice_omega
[all …]
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/lib/coulomb/ |
| H A D | c_coulomb.F | 129 real*8 lattice_omega
130 external lattice_omega
142 ec = 0.5d0*ec*lattice_omega()
180 real*8 lattice_unitg,lattice_omega,c_coulomb_e
181 external lattice_unitg,lattice_omega,c_coulomb_e
238 ss = lattice_omega()/fourpi
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/lib/coulomb/ |
| H A D | c_coulomb.F | 129 real*8 lattice_omega
130 external lattice_omega
142 ec = 0.5d0*ec*lattice_omega()
180 real*8 lattice_unitg,lattice_omega,c_coulomb_e
181 external lattice_unitg,lattice_omega,c_coulomb_e
238 ss = lattice_omega()/fourpi
|
| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/ewald/ |
| H A D | ewald.F | 110 omega = lattice_omega()
222 real*8 lattice_omega,lattice_unita
951 scal2 = 1.0d0/lattice_omega()
1243 ss = 1.0d0/lattice_omega()
1556 scal2 = 1.0d0/lattice_omega()
1810 ss = 1.0d0/lattice_omega()
2125 scal2 = 1.0d0/lattice_omega()
2374 ss = 1.0d0/lattice_omega()
2564 scal2 = 1.0d0/lattice_omega()
2714 scal2 = 1.0d0/lattice_omega()
[all …]
|
| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/ewald/ |
| H A D | ewald.F | 110 omega = lattice_omega()
222 real*8 lattice_omega,lattice_unita
944 scal2 = 1.0d0/lattice_omega()
1248 ss = 1.0d0/lattice_omega()
1561 scal2 = 1.0d0/lattice_omega()
1815 ss = 1.0d0/lattice_omega()
2130 scal2 = 1.0d0/lattice_omega()
2379 ss = 1.0d0/lattice_omega()
2569 scal2 = 1.0d0/lattice_omega()
2719 scal2 = 1.0d0/lattice_omega()
[all …]
|