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Searched refs:G_indx (Results 51 – 75 of 94) sorted by relevance

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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/kbpp/
H A Dkbpp_orb.F56 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),
H A Dkbppv3d_stress.F73 integer G_indx
74 external G_indx
222 > dbl_mb(G_indx(1)),
255 > dbl_mb(G_indx(1)),
H A Dkbppv3e_stress.F73 integer G_indx
74 external G_indx
241 > dbl_mb(G_indx(1)),
275 > dbl_mb(G_indx(1)),
H A Dkbppv3.F52 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),
H A Dkbppv3e.F80 integer G_indx
81 external G_indx
262 > dbl_mb(G_indx(1)),
300 > dbl_mb(G_indx(1)),
H A Dkbppv3d.F83 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)),
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/kbpp/
H A Dkbpp_orb.F56 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),
H A Dkbppv3d_stress.F73 integer G_indx
74 external G_indx
222 > dbl_mb(G_indx(1)),
255 > dbl_mb(G_indx(1)),
H A Dkbppv3e_stress.F73 integer G_indx
74 external G_indx
241 > dbl_mb(G_indx(1)),
275 > dbl_mb(G_indx(1)),
H A Dkbppv3.F52 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),
H A Dkbppv3e.F80 integer G_indx
81 external G_indx
262 > dbl_mb(G_indx(1)),
300 > dbl_mb(G_indx(1)),
H A Dkbppv3d.F83 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)),
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/dplot/
H A Dpspw_dplot.F1356 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/dplot/
H A Dpspw_dplot.F1356 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 …]
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/analysis/APC/
H A Dpspw_APC.F45 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)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/coulomb/
H A Dcoulomb_screened.F36 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)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_proj/
H A Dpaw_proj.F659 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)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_proj/
H A Dpaw_proj.F659 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)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/coulomb/
H A Dcoulomb_screened.F40 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)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/nwpwlib/lattice/
H A DG_init.F5 integer function G_indx(i)
15 G_indx = G(i)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/nwpwlib/lattice/
H A DG_init.F5 integer function G_indx(i)
15 G_indx = G(i)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/psp/
H A Dsemicore.F500 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)
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/psp/
H A Dsemicore.F500 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)
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/truncating_function/
H A Dtruncating_function.F57 integer G_indx,ion_nkatm,ion_atn,control_ngrid
62 external G_indx,ion_nkatm,ion_atn,control_ngrid
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/truncating_function/
H A Dtruncating_function.F57 integer G_indx,ion_nkatm,ion_atn,control_ngrid
62 external G_indx,ion_nkatm,ion_atn,control_ngrid

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