/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/kbpp/ |
H A D | kbpp_orb.F | 56 integer aorbs_indx,G_indx 171 > 'G',G_hndl, G_indx) 180 call setup_kbpp(nfft1,nfft2,nfft3,unita,unitg,dbl_mb(G_indx)) 190 > dbl_mb(G_indx),
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H A D | kbppv3d_stress.F | 73 integer G_indx 74 external G_indx 222 > dbl_mb(G_indx(1)), 255 > dbl_mb(G_indx(1)),
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H A D | kbppv3e_stress.F | 73 integer G_indx 74 external G_indx 241 > dbl_mb(G_indx(1)), 275 > dbl_mb(G_indx(1)),
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H A D | kbppv3.F | 52 integer vl_indx,vnl_indx,vnlnrm_indx,G_indx 188 > 'G',G_hndl, G_indx) 207 call setup_kbpp(nfft1,nfft2,nfft3,unita,unitg,dbl_mb(G_indx)) 239 > dbl_mb(G_indx), 276 > dbl_mb(G_indx),
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H A D | kbppv3e.F | 80 integer G_indx 81 external G_indx 262 > dbl_mb(G_indx(1)), 300 > dbl_mb(G_indx(1)),
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H A D | kbppv3d.F | 83 integer G_indx,convert_psp_type 84 external G_indx,convert_psp_type 279 > dbl_mb(G_indx(1)), 317 > dbl_mb(G_indx(1)),
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/kbpp/ |
H A D | kbpp_orb.F | 56 integer aorbs_indx,G_indx 171 > 'G',G_hndl, G_indx) 180 call setup_kbpp(nfft1,nfft2,nfft3,unita,unitg,dbl_mb(G_indx)) 190 > dbl_mb(G_indx),
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H A D | kbppv3d_stress.F | 73 integer G_indx 74 external G_indx 222 > dbl_mb(G_indx(1)), 255 > dbl_mb(G_indx(1)),
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H A D | kbppv3e_stress.F | 73 integer G_indx 74 external G_indx 241 > dbl_mb(G_indx(1)), 275 > dbl_mb(G_indx(1)),
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H A D | kbppv3.F | 52 integer vl_indx,vnl_indx,vnlnrm_indx,G_indx 188 > 'G',G_hndl, G_indx) 207 call setup_kbpp(nfft1,nfft2,nfft3,unita,unitg,dbl_mb(G_indx)) 239 > dbl_mb(G_indx), 276 > dbl_mb(G_indx),
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H A D | kbppv3e.F | 80 integer G_indx 81 external G_indx 262 > dbl_mb(G_indx(1)), 300 > dbl_mb(G_indx(1)),
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H A D | kbppv3d.F | 83 integer G_indx,convert_psp_type 84 external G_indx,convert_psp_type 279 > dbl_mb(G_indx(1)), 317 > dbl_mb(G_indx(1)),
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/dplot/ |
H A D | pspw_dplot.F | 1356 G(1) = G_indx(1) 1588 integer G_indx local 1589 external G_indx 1839 Gx= G_indx(1) 1840 Gy= G_indx(2) 1841 Gz= G_indx(3) 1965 integer G_indx local 1966 external G_indx 2082 Gx= G_indx(1) 2083 Gy= G_indx(2) [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/dplot/ |
H A D | pspw_dplot.F | 1356 G(1) = G_indx(1) 1588 integer G_indx 1589 external G_indx 1839 Gx= G_indx(1) 1840 Gy= G_indx(2) 1841 Gz= G_indx(3) 1965 integer G_indx 1966 external G_indx 2082 Gx= G_indx(1) 2083 Gy= G_indx(2) [all …]
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/analysis/APC/ |
H A D | pspw_APC.F | 45 integer ion_nion_qm, G_indx 48 external ion_nion_qm, G_indx 111 G(1)= G_indx(1) 112 G(2)= G_indx(2) 113 G(3)= G_indx(3)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/coulomb/ |
H A D | coulomb_screened.F | 36 integer G_indx 40 external G_indx 57 G(1) = G_indx(1) 58 G(2) = G_indx(2) 59 G(3) = G_indx(3) 803 integer G_indx 806 external G_indx 817 G(1) = G_indx(1) 818 G(2) = G_indx(2) 819 G(3) = G_indx(3)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_proj/ |
H A D | paw_proj.F | 659 integer G_indx local 661 external G_indx 734 Gx(1) = G_indx(1) 735 Gy(1) = G_indx(2) 736 Gz(1) = G_indx(3)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_proj/ |
H A D | paw_proj.F | 659 integer G_indx local 661 external G_indx 734 Gx(1) = G_indx(1) 735 Gy(1) = G_indx(2) 736 Gz(1) = G_indx(3)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/coulomb/ |
H A D | coulomb_screened.F | 40 integer G_indx local 44 external G_indx 64 G(1) = G_indx(1) 65 G(2) = G_indx(2) 66 G(3) = G_indx(3) 944 integer G_indx local 947 external G_indx 958 G(1) = G_indx(1) 959 G(2) = G_indx(2) 960 G(3) = G_indx(3)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/lattice/ |
H A D | G_init.F | 5 integer function G_indx(i) 15 G_indx = G(i)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/lattice/ |
H A D | G_init.F | 5 integer function G_indx(i) 15 G_indx = G(i)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/psp/ |
H A D | semicore.F | 500 integer ion_nion,ion_katm,G_indx 502 external ion_nion,ion_katm,G_indx 525 call dcopy(nfft3d,dbl_mb(G_indx(u)),1,dcpl_mb(Gu),1) 526 call dcopy(nfft3d,dbl_mb(G_indx(s)),1,dcpl_mb(Gs),1)
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/psp/ |
H A D | semicore.F | 500 integer ion_nion,ion_katm,G_indx 502 external ion_nion,ion_katm,G_indx 525 call dcopy(nfft3d,dbl_mb(G_indx(u)),1,dcpl_mb(Gu),1) 526 call dcopy(nfft3d,dbl_mb(G_indx(s)),1,dcpl_mb(Gs),1)
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/truncating_function/ |
H A D | truncating_function.F | 57 integer G_indx,ion_nkatm,ion_atn,control_ngrid 62 external G_indx,ion_nkatm,ion_atn,control_ngrid
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/truncating_function/ |
H A D | truncating_function.F | 57 integer G_indx,ion_nkatm,ion_atn,control_ngrid 62 external G_indx,ion_nkatm,ion_atn,control_ngrid
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