Home
last modified time | relevance | path

Searched refs:ggcut (Results 1 – 14 of 14) sorted by relevance

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/lattice/
H A Dmask_init.F51 real*8 ggcut,g1,g2,g3,gg
96 ggcut = lattice_ggcut()
98 ggcut = lattice_wggcut()
126 gg= gg-ggcut
179 ggcut = lattice_ggcut()
181 ggcut = lattice_wggcut()
208 gg= gg-ggcut
H A Dcloak.F68 real*8 ggcut,g1,g2,g3,gg
91 ggcut = 2.0d0*ecut
121 if (gg.lt.ggcut) then
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/lattice/
H A Dmask_init.F51 real*8 ggcut,g1,g2,g3,gg
96 ggcut = lattice_ggcut()
98 ggcut = lattice_wggcut()
126 gg= gg-ggcut
179 ggcut = lattice_ggcut()
181 ggcut = lattice_wggcut()
208 gg= gg-ggcut
H A Dcloak.F68 real*8 ggcut,g1,g2,g3,gg
91 ggcut = 2.0d0*ecut
121 if (gg.lt.ggcut) then
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/C3dB/
H A DC3dB_pfft.F87 ggcut = lattice_ggcut()
89 ggcut = lattice_wggcut()
123 gg= gg-ggcut
140 gg= gg-ggcut
184 gg= gg-ggcut
201 gg= gg-ggcut
258 ggcut = lattice_ggcut()
292 gg= gg-ggcut
309 gg= gg-ggcut
349 gg= gg-ggcut
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/C3dB/
H A DC3dB_pfft.F87 ggcut = lattice_ggcut()
89 ggcut = lattice_wggcut()
123 gg= gg-ggcut
140 gg= gg-ggcut
184 gg= gg-ggcut
201 gg= gg-ggcut
258 ggcut = lattice_ggcut()
292 gg= gg-ggcut
309 gg= gg-ggcut
349 gg= gg-ggcut
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/ewald/
H A Dewald.F205 real*8 pi,pi4,gg,w,ggcut
273 ggcut = gg1
274 if (gg2.lt.ggcut) ggcut = gg2
275 if (gg3.lt.ggcut) ggcut = gg3
276 if ((2.0d0*control_ecut()).lt.ggcut) ggcut=2.0d0*control_ecut()
289 if ((gg-ggcut).lt.-eps) then
304 if ((gg-ggcut).lt.-eps) then
318 if ((gg-ggcut).lt.-eps) then
334 if ((gg-ggcut).lt.-eps) then
378 if ((gg-ggcut).lt.-eps) then
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/ewald/
H A Dewald.F205 real*8 pi,pi4,gg,w,ggcut
273 ggcut = gg1
274 if (gg2.lt.ggcut) ggcut = gg2
275 if (gg3.lt.ggcut) ggcut = gg3
276 if ((2.0d0*control_ecut()).lt.ggcut) ggcut=2.0d0*control_ecut()
289 if ((gg-ggcut).lt.-eps) then
304 if ((gg-ggcut).lt.-eps) then
318 if ((gg-ggcut).lt.-eps) then
334 if ((gg-ggcut).lt.-eps) then
378 if ((gg-ggcut).lt.-eps) then
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/lib/cpsp/
H A Dc_semicore.F549 real*8 unitg(3,3),ggcut,gg,g1,g2,g3 local
606 ggcut = lattice_ggcut()
620 if (gg.ge.ggcut) then
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/lib/cpsp/
H A Dc_semicore.F549 real*8 unitg(3,3),ggcut,gg,g1,g2,g3 local
606 ggcut = lattice_ggcut()
620 if (gg.ge.ggcut) then
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/D3dB/
H A DD3dB_pfft.F44 double precision ggcut,g1,g2,g3,gg,unitg(3,3)
153 ggcut = lattice_ggcut()
155 ggcut = lattice_wggcut()
187 gg= gg-ggcut
227 gg= gg-ggcut
346 ggcut = lattice_ggcut()
348 ggcut = lattice_wggcut()
379 gg= gg-ggcut
416 gg= gg-ggcut
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/D3dB/
H A DD3dB_pfft.F44 double precision ggcut,g1,g2,g3,gg,unitg(3,3)
153 ggcut = lattice_ggcut()
155 ggcut = lattice_wggcut()
187 gg= gg-ggcut
227 gg= gg-ggcut
346 ggcut = lattice_ggcut()
348 ggcut = lattice_wggcut()
379 gg= gg-ggcut
416 gg= gg-ggcut
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/ke/
H A Dke.F24 real*8 gg,g1,ggcut,A,E0,sigma,bb,x local
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/ke/
H A Dke.F24 real*8 gg,g1,ggcut,A,E0,sigma,bb,x