| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_force/ |
| H A D | paw_force.F | 118 integer G_indx local
119 external G_indx
158 call D3dB_t_Copy(1,dbl_mb(G_indx(1)),dbl_mb(Gx(1)))
159 call D3dB_t_Copy(1,dbl_mb(G_indx(2)),dbl_mb(Gy(1)))
160 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/band/lib/coulomb/ |
| H A D | c_coulomb_screened.F | 475 integer G_indx
478 external G_indx
489 G(1) = G_indx(1)
490 G(2) = G_indx(2)
491 G(3) = G_indx(3)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/lib/coulomb/ |
| H A D | c_coulomb_screened.F | 475 integer G_indx
478 external G_indx
489 G(1) = G_indx(1)
490 G(2) = G_indx(2)
491 G(3) = G_indx(3)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_force/ |
| H A D | paw_force.F | 118 integer G_indx local
119 external G_indx
158 call D3dB_t_Copy(1,dbl_mb(G_indx(1)),dbl_mb(Gx(1)))
159 call D3dB_t_Copy(1,dbl_mb(G_indx(2)),dbl_mb(Gy(1)))
160 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/lib/psi/ |
| H A D | rho_symmetrize.F | 378 integer G_indx
379 external G_indx
384 > dbl_mb(G_indx(1)),
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| H A D | psi.F | 10226 integer Dneall_mne_size,G_indx
10227 external Dneall_mne_size,G_indx
10244 call D3dB_t_Copy(1,dbl_mb(G_indx(1)),dbl_mb(Gx(1)))
10245 call D3dB_t_Copy(1,dbl_mb(G_indx(2)),dbl_mb(Gy(1)))
10246 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/band/kbpp/ |
| H A D | rkbpp_band.F | 69 integer vl_indx,vnl_indx,vnrm_indx,G_indx
204 > 'G',G_hndl, G_indx)
240 > dbl_mb(G_indx))
250 > dbl_mb(G_indx),semicore,zv,drho,ierr)
313 > dbl_mb(G_indx),kvectors(1,1),
373 > dbl_mb(G_indx),kvectors(1,nb),
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/kbpp/ |
| H A D | rkbpp_band.F | 69 integer vl_indx,vnl_indx,vnrm_indx,G_indx
204 > 'G',G_hndl, G_indx)
240 > dbl_mb(G_indx))
250 > dbl_mb(G_indx),semicore,zv,drho,ierr)
313 > dbl_mb(G_indx),kvectors(1,1),
373 > dbl_mb(G_indx),kvectors(1,nb),
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/kbpp/ |
| H A D | pawppv1.F | 56 integer vl(2),vlpaw(2),vnl(2),G_indx,G_hndl
286 value = value.and.BA_alloc_get(mt_dbl,3*nsize,'G',G_hndl,G_indx)
293 call setup_kbpp(nfft1,nfft2,nfft3,unita,unitg,dbl_mb(G_indx))
336 > dbl_mb(G_indx),
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/kbpp/ |
| H A D | pawppv1.F | 56 integer vl(2),vlpaw(2),vnl(2),G_indx,G_hndl
286 value = value.and.BA_alloc_get(mt_dbl,3*nsize,'G',G_hndl,G_indx)
293 call setup_kbpp(nfft1,nfft2,nfft3,unita,unitg,dbl_mb(G_indx))
336 > dbl_mb(G_indx),
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/charge/ |
| H A D | pspw_charge.F | 43 integer G_indx local
46 external G_indx
142 G(1) = G_indx(1)
143 G(2) = G_indx(2)
144 G(3) = G_indx(3)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/charge/ |
| H A D | pspw_charge.F | 43 integer G_indx
46 external G_indx
142 G(1) = G_indx(1)
143 G(2) = G_indx(2)
144 G(3) = G_indx(3)
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/analysis/APC/ |
| H A D | pspw_APC.F | 47 integer ion_nion_qm,G_indx
51 external ion_nion_qm,G_indx
119 G(1)= G_indx(1)
120 G(2)= G_indx(2)
121 G(3)= G_indx(3)
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| H A D | pspw_APC.F.derivcheck | 48 integer ion_nion_qm,G_indx
52 external ion_nion_qm,G_indx
119 G(1)= G_indx(1)
120 G(2)= G_indx(2)
121 G(3)= G_indx(3)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/lattice/ |
| H A D | pack.F | 46 integer G_indx,Gsmall_indx
48 external G_indx,Gsmall_indx
334 call D3dB_t_Copy(1,dbl_mb(G_indx(i)),dbl_mb(tmp(1)))
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/psi/ |
| H A D | psi.F | 7413 integer Dneall_mne_size,G_indx
7414 external Dneall_mne_size,G_indx
7431 call D3dB_t_Copy(1,dbl_mb(G_indx(1)),dbl_mb(Gx(1)))
7432 call D3dB_t_Copy(1,dbl_mb(G_indx(2)),dbl_mb(Gy(1)))
7433 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/nwpwlib/lattice/ |
| H A D | pack.F | 46 integer G_indx,Gsmall_indx
48 external G_indx,Gsmall_indx
334 call D3dB_t_Copy(1,dbl_mb(G_indx(i)),dbl_mb(tmp(1)))
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/utilities/paw_utilities/ |
| H A D | nwpw_compcharge.F | 39 integer control_code,G_indx,c_G_indx,ion_katm
40 external control_code,G_indx,c_G_indx,ion_katm
167 Gindx = G_indx(1)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/utilities/paw_utilities/ |
| H A D | nwpw_compcharge.F | 39 integer control_code,G_indx,c_G_indx,ion_katm
40 external control_code,G_indx,c_G_indx,ion_katm
167 Gindx = G_indx(1)
|