/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/coulomb/ |
H A D | coulomb.F | 28 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 …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/coulomb/ |
H A D | coulomb.F | 28 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_vloc/ |
H A D | paw_vloc.F | 94 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)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_vloc/ |
H A D | paw_vloc.F | 94 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)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/exchange-correlation/ |
H A D | v_mexc.F | 48 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 …]
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H A D | v_bwexc.F | 49 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 …]
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H A D | v_bwexc_euv.F | 48 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/exchange-correlation/ |
H A D | v_bwexc.F | 49 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 …]
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H A D | v_mexc.F | 48 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 …]
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H A D | v_bwexc_euv.F | 48 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 …]
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/ke/ |
H A D | ke.F | 32 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)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/ke/ |
H A D | ke.F | 32 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)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/utilities/ |
H A D | kerker_G.F | 20 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)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/utilities/ |
H A D | kerker_G.F | 20 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)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/dplot/ |
H A D | ELF.F | 160 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)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/dplot/ |
H A D | ELF.F | 160 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)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/kbpp/ |
H A D | kbpp_band_stress.F | 56 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),
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H A D | kbpp_e_band_stress.F | 56 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),
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H A D | hghpp_band.F | 59 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),
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/kbpp/ |
H A D | kbpp_e_band_stress.F | 56 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),
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H A D | kbpp_band_stress.F | 56 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),
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H A D | hghpp_band.F | 59 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),
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/psp/ |
H A D | semicore_force.F | 43 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)))
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/psp/ |
H A D | semicore_force.F | 43 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)))
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/kbpp/ |
H A D | hghppv1.F | 55 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),
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