Home
last modified time | relevance | path

Searched refs:G_indx (Results 1 – 25 of 94) sorted by relevance

1234

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/coulomb/
H A Dcoulomb.F28 integer G_indx local
29 external G_indx
36 G(1) = G_indx(1)
37 G(2) = G_indx(2)
38 G(3) = G_indx(3)
198 integer G_indx local
199 external G_indx
326 integer G_indx,ion_nion local
327 external G_indx,ion_nion
352 call dcopy(nfft3d,dbl_mb(G_indx(1)),1,dbl_mb(G(1)),1)
[all …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/coulomb/
H A Dcoulomb.F28 integer G_indx
29 external G_indx
36 G(1) = G_indx(1)
37 G(2) = G_indx(2)
38 G(3) = G_indx(3)
198 integer G_indx
199 external G_indx
326 integer G_indx,ion_nion
327 external G_indx,ion_nion
352 call dcopy(nfft3d,dbl_mb(G_indx(1)),1,dbl_mb(G(1)),1)
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_vloc/
H A Dpaw_vloc.F94 integer G_indx,ion_nion,ion_katm
95 external G_indx,ion_nion,ion_katm
115 G(1) = G_indx(1)
116 G(2) = G_indx(2)
117 G(3) = G_indx(3)
203 integer G_indx,ion_nion,ion_katm
204 external G_indx,ion_nion,ion_katm
224 G(1) = G_indx(1)
225 G(2) = G_indx(2)
226 G(3) = G_indx(3)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_vloc/
H A Dpaw_vloc.F94 integer G_indx,ion_nion,ion_katm
95 external G_indx,ion_nion,ion_katm
115 G(1) = G_indx(1)
116 G(2) = G_indx(2)
117 G(3) = G_indx(3)
203 integer G_indx,ion_nion,ion_katm
204 external G_indx,ion_nion,ion_katm
224 G(1) = G_indx(1)
225 G(2) = G_indx(2)
226 G(3) = G_indx(3)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/exchange-correlation/
H A Dv_mexc.F48 integer G_indx
49 external G_indx
97 call D3dB_ic_Mul(1,dbl_mb(G_indx(1)),
100 call D3dB_ic_Mul(1,dbl_mb(G_indx(2)),
103 call D3dB_ic_Mul(1,dbl_mb(G_indx(3)),
350 call D3dB_ic_Mul(1,dbl_mb(G_indx(1)),
353 call D3dB_ic_Mul(1,dbl_mb(G_indx(2)),
356 call D3dB_ic_Mul(1,dbl_mb(G_indx(3)),
396 call D3dB_ic_Mul(1,dbl_mb(G_indx(1)),
399 call D3dB_ic_Mul(1,dbl_mb(G_indx(2)),
[all …]
H A Dv_bwexc.F49 integer G_indx
50 external G_indx
102 call D3dB_ic_Mul(1,dbl_mb(G_indx(1)),
105 call D3dB_ic_Mul(1,dbl_mb(G_indx(2)),
108 call D3dB_ic_Mul(1,dbl_mb(G_indx(3)),
349 call D3dB_ic_Mul(1,dbl_mb(G_indx(1)),
352 call D3dB_ic_Mul(1,dbl_mb(G_indx(2)),
355 call D3dB_ic_Mul(1,dbl_mb(G_indx(3)),
388 call D3dB_ic_Mul(1,dbl_mb(G_indx(1)),
391 call D3dB_ic_Mul(1,dbl_mb(G_indx(2)),
[all …]
H A Dv_bwexc_euv.F48 integer G_indx
50 external G_indx
113 call D3dB_ic_Mul(1,dbl_mb(G_indx(1)),
116 call D3dB_ic_Mul(1,dbl_mb(G_indx(2)),
119 call D3dB_ic_Mul(1,dbl_mb(G_indx(3)),
418 call D3dB_ic_Mul(1,dbl_mb(G_indx(1)),
421 call D3dB_ic_Mul(1,dbl_mb(G_indx(2)),
424 call D3dB_ic_Mul(1,dbl_mb(G_indx(3)),
465 call D3dB_ic_Mul(1,dbl_mb(G_indx(1)),
468 call D3dB_ic_Mul(1,dbl_mb(G_indx(2)),
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/exchange-correlation/
H A Dv_bwexc.F49 integer G_indx local
50 external G_indx
102 call D3dB_ic_Mul(1,dbl_mb(G_indx(1)),
105 call D3dB_ic_Mul(1,dbl_mb(G_indx(2)),
108 call D3dB_ic_Mul(1,dbl_mb(G_indx(3)),
349 call D3dB_ic_Mul(1,dbl_mb(G_indx(1)),
352 call D3dB_ic_Mul(1,dbl_mb(G_indx(2)),
355 call D3dB_ic_Mul(1,dbl_mb(G_indx(3)),
388 call D3dB_ic_Mul(1,dbl_mb(G_indx(1)),
391 call D3dB_ic_Mul(1,dbl_mb(G_indx(2)),
[all …]
H A Dv_mexc.F48 integer G_indx
49 external G_indx
99 call D3dB_ic_Mul(1,dbl_mb(G_indx(1)),
102 call D3dB_ic_Mul(1,dbl_mb(G_indx(2)),
105 call D3dB_ic_Mul(1,dbl_mb(G_indx(3)),
399 call D3dB_ic_Mul(1,dbl_mb(G_indx(1)),
402 call D3dB_ic_Mul(1,dbl_mb(G_indx(2)),
405 call D3dB_ic_Mul(1,dbl_mb(G_indx(3)),
445 call D3dB_ic_Mul(1,dbl_mb(G_indx(1)),
448 call D3dB_ic_Mul(1,dbl_mb(G_indx(2)),
[all …]
H A Dv_bwexc_euv.F48 integer G_indx
50 external G_indx
115 call D3dB_ic_Mul(1,dbl_mb(G_indx(1)),
118 call D3dB_ic_Mul(1,dbl_mb(G_indx(2)),
121 call D3dB_ic_Mul(1,dbl_mb(G_indx(3)),
423 call D3dB_ic_Mul(1,dbl_mb(G_indx(1)),
426 call D3dB_ic_Mul(1,dbl_mb(G_indx(2)),
429 call D3dB_ic_Mul(1,dbl_mb(G_indx(3)),
470 call D3dB_ic_Mul(1,dbl_mb(G_indx(1)),
473 call D3dB_ic_Mul(1,dbl_mb(G_indx(2)),
[all …]
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/ke/
H A Dke.F32 integer G_indx local
33 external G_indx
50 G(1)= G_indx(1)
51 G(2)= G_indx(2)
52 G(3)= G_indx(3)
328 integer G_indx local
329 external G_indx
376 call dcopy(nfft3d,dbl_mb(G_indx(1)),1,dbl_mb(G(1,1)),1)
377 call dcopy(nfft3d,dbl_mb(G_indx(2)),1,dbl_mb(G(1,2)),1)
378 call dcopy(nfft3d,dbl_mb(G_indx(3)),1,dbl_mb(G(1,3)),1)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/ke/
H A Dke.F32 integer G_indx
33 external G_indx
50 G(1)= G_indx(1)
51 G(2)= G_indx(2)
52 G(3)= G_indx(3)
328 integer G_indx
329 external G_indx
376 call dcopy(nfft3d,dbl_mb(G_indx(1)),1,dbl_mb(G(1,1)),1)
377 call dcopy(nfft3d,dbl_mb(G_indx(2)),1,dbl_mb(G(1,2)),1)
378 call dcopy(nfft3d,dbl_mb(G_indx(3)),1,dbl_mb(G(1,3)),1)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/utilities/
H A Dkerker_G.F20 integer G_indx,c_G_indx,control_code
21 external G_indx,c_G_indx,control_code
54 G(1)= G_indx(1)
55 G(2)= G_indx(2)
56 G(3)= G_indx(3)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/utilities/
H A Dkerker_G.F20 integer G_indx,c_G_indx,control_code
21 external G_indx,c_G_indx,control_code
46 G(1)= G_indx(1)
47 G(2)= G_indx(2)
48 G(3)= G_indx(3)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/dplot/
H A DELF.F160 integer G_indx
161 external G_indx
181 call dcopy(nfft3d,dbl_mb(G_indx(1)),1,dbl_mb(Gx(1)),1)
182 call dcopy(nfft3d,dbl_mb(G_indx(2)),1,dbl_mb(Gy(1)),1)
183 call dcopy(nfft3d,dbl_mb(G_indx(3)),1,dbl_mb(Gz(1)),1)
262 integer G_indx
263 external G_indx
290 call dcopy(nfft3d,dbl_mb(G_indx(1)),1,dbl_mb(Gx(1)),1)
291 call dcopy(nfft3d,dbl_mb(G_indx(2)),1,dbl_mb(Gy(1)),1)
292 call dcopy(nfft3d,dbl_mb(G_indx(3)),1,dbl_mb(Gz(1)),1)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/dplot/
H A DELF.F160 integer G_indx
161 external G_indx
181 call dcopy(nfft3d,dbl_mb(G_indx(1)),1,dbl_mb(Gx(1)),1)
182 call dcopy(nfft3d,dbl_mb(G_indx(2)),1,dbl_mb(Gy(1)),1)
183 call dcopy(nfft3d,dbl_mb(G_indx(3)),1,dbl_mb(Gz(1)),1)
262 integer G_indx
263 external G_indx
290 call dcopy(nfft3d,dbl_mb(G_indx(1)),1,dbl_mb(Gx(1)),1)
291 call dcopy(nfft3d,dbl_mb(G_indx(2)),1,dbl_mb(Gy(1)),1)
292 call dcopy(nfft3d,dbl_mb(G_indx(3)),1,dbl_mb(Gz(1)),1)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/kbpp/
H A Dkbpp_band_stress.F56 integer vl_indx,vnl_indx,G_indx
181 > 'G',G_hndl, G_indx)
192 call setup_kbpp_band(nfft1,nfft2,nfft3,unita,unitg,dbl_mb(G_indx))
198 nray = kbpp_band_calc_nray(nfft1,nfft2,nfft3,dbl_mb(G_indx))
214 > dbl_mb(G_indx),
226 > dbl_mb(G_indx),
251 > dbl_mb(G_indx),
345 > dbl_mb(G_indx),
363 > dbl_mb(G_indx),
H A Dkbpp_e_band_stress.F56 integer vl_indx,vnl_indx,G_indx
198 > 'G',G_hndl, G_indx)
209 call setup_kbpp_band(nfft1,nfft2,nfft3,unita,unitg,dbl_mb(G_indx))
215 nray = kbpp_band_calc_nray(nfft1,nfft2,nfft3,dbl_mb(G_indx))
231 > dbl_mb(G_indx),
244 > dbl_mb(G_indx),
270 > dbl_mb(G_indx),
366 > dbl_mb(G_indx),
385 > dbl_mb(G_indx),
H A Dhghpp_band.F59 integer Ylm_indx,Slm_indx,vl_indx,vnl_indx,G_indx,vnlso_indx
258 > 'G',G_hndl, G_indx)
293 > dbl_mb(G_indx))
299 > dbl_mb(G_indx),
308 > dbl_mb(G_indx),
412 > dbl_mb(G_indx),
418 > dbl_mb(G_indx),
430 > dbl_mb(G_indx),
453 > dbl_mb(G_indx),
459 > dbl_mb(G_indx),
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/kbpp/
H A Dkbpp_e_band_stress.F56 integer vl_indx,vnl_indx,G_indx
198 > 'G',G_hndl, G_indx)
209 call setup_kbpp_band(nfft1,nfft2,nfft3,unita,unitg,dbl_mb(G_indx))
215 nray = kbpp_band_calc_nray(nfft1,nfft2,nfft3,dbl_mb(G_indx))
231 > dbl_mb(G_indx),
244 > dbl_mb(G_indx),
270 > dbl_mb(G_indx),
366 > dbl_mb(G_indx),
385 > dbl_mb(G_indx),
H A Dkbpp_band_stress.F56 integer vl_indx,vnl_indx,G_indx
181 > 'G',G_hndl, G_indx)
192 call setup_kbpp_band(nfft1,nfft2,nfft3,unita,unitg,dbl_mb(G_indx))
198 nray = kbpp_band_calc_nray(nfft1,nfft2,nfft3,dbl_mb(G_indx))
214 > dbl_mb(G_indx),
226 > dbl_mb(G_indx),
251 > dbl_mb(G_indx),
345 > dbl_mb(G_indx),
363 > dbl_mb(G_indx),
H A Dhghpp_band.F59 integer Ylm_indx,Slm_indx,vl_indx,vnl_indx,G_indx,vnlso_indx
258 > 'G',G_hndl, G_indx)
293 > dbl_mb(G_indx))
299 > dbl_mb(G_indx),
308 > dbl_mb(G_indx),
412 > dbl_mb(G_indx),
418 > dbl_mb(G_indx),
430 > dbl_mb(G_indx),
453 > dbl_mb(G_indx),
459 > dbl_mb(G_indx),
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/psp/
H A Dsemicore_force.F43 integer ion_nion,ion_katm,G_indx local
45 external ion_nion,ion_katm,G_indx
89 call D3dB_t_Copy(1,dbl_mb(G_indx(1)),dbl_mb(Gx(1)))
90 call D3dB_t_Copy(1,dbl_mb(G_indx(2)),dbl_mb(Gy(1)))
91 call D3dB_t_Copy(1,dbl_mb(G_indx(3)),dbl_mb(Gz(1)))
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/psp/
H A Dsemicore_force.F43 integer ion_nion,ion_katm,G_indx
45 external ion_nion,ion_katm,G_indx
89 call D3dB_t_Copy(1,dbl_mb(G_indx(1)),dbl_mb(Gx(1)))
90 call D3dB_t_Copy(1,dbl_mb(G_indx(2)),dbl_mb(Gy(1)))
91 call D3dB_t_Copy(1,dbl_mb(G_indx(3)),dbl_mb(Gz(1)))
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/kbpp/
H A Dhghppv1.F55 integer Ylm_indx,vl_indx,vnl_indx,G_indx local
215 > 'G',G_hndl, G_indx)
254 call setup_kbpp(nfft1,nfft2,nfft3,unita,unitg,dbl_mb(G_indx))
260 > dbl_mb(G_indx),
264 > dbl_mb(G_indx),
274 > dbl_mb(G_indx),
279 > dbl_mb(G_indx),
290 > dbl_mb(G_indx),

1234