| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/minimizer/ |
| H A D | c_bybminimize.F | 34 integer vall_in(2),vall_out(2),vall_junk(2)
130 > 'vall_in',vall_in(2),vall_in(1))
159 call c_electron_get_vall(dcpl_mb(vall_in(1)))
168 call c_electron_get_vall(dcpl_mb(vall_in(1)))
193 call c_electron_get_vall(dcpl_mb(vall_in(1)))
197 > dcpl_mb(vall_in(1)),1,
217 call nwpw_scf_mixing(dcpl_mb(vall_in(1)),dcpl_mb(vall_out(1)),
317 value = value.and.BA_pop_stack(vall_in(2))
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/minimizer/ |
| H A D | c_bybminimize.F | 34 integer vall_in(2),vall_out(2),vall_junk(2)
126 > 'vall_in',vall_in(2),vall_in(1))
155 call c_electron_get_vall(dcpl_mb(vall_in(1)))
164 call c_electron_get_vall(dcpl_mb(vall_in(1)))
188 call c_electron_get_vall(dcpl_mb(vall_in(1)))
192 > dcpl_mb(vall_in(1)),1,
212 call nwpw_scf_mixing(dcpl_mb(vall_in(1)),dcpl_mb(vall_out(1)),
312 value = value.and.BA_pop_stack(vall_in(2))
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cgsd/ |
| H A D | bybminimize.F | 37 integer vall_in(2),vall_out(2),vall_junk(2),rho_in(2)
150 > 'vall_in',vall_in(2),vall_in(1))
162 call dcopy(2*n2ft3d,0.0d0,0,dbl_mb(vall_in(1)),1)
186 call electron_get_vall(dbl_mb(vall_in(1)))
194 call electron_get_vall(dbl_mb(vall_in(1)))
223 call electron_get_vall(dbl_mb(vall_in(1)))
227 > dbl_mb(vall_in(1)),1,
250 call nwpw_scf_mixing(dbl_mb(vall_in(1)),dbl_mb(vall_out(1)),
356 value = value.and.BA_pop_stack(vall_in(2))
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cgsd/ |
| H A D | bybminimize.F | 37 integer vall_in(2),vall_out(2),vall_junk(2),rho_in(2) local
171 > 'vall_in',vall_in(2),vall_in(1))
188 > dbl_mb(vall_in(1)))
217 call electron_get_vall(dbl_mb(vall_in(1)))
225 call electron_get_vall(dbl_mb(vall_in(1)))
273 call electron_get_vall(dbl_mb(vall_in(1)))
280 > dbl_mb(vall_in(1)),
310 call nwpw_scf_mixing(dbl_mb(vall_in(1)),dbl_mb(vall_out(1)),
425 value = value.and.BA_pop_stack(vall_in(2))
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/paw/paw_psi/ |
| H A D | paw_electron.F | 1522 subroutine paw_electron_set_vall(vall_in) argument
1524 real*8 vall_in local
1529 call dcopy(4*nfft3d,vall_in,1,dbl_mb(vall(1)),1)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/paw/paw_psi/ |
| H A D | paw_electron.F | 1522 subroutine paw_electron_set_vall(vall_in) argument
1524 real*8 vall_in local
1529 call dcopy(4*nfft3d,vall_in,1,dbl_mb(vall(1)),1)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/band/lib/electron/ |
| H A D | c_electron.F | 1474 subroutine c_electron_set_vall(vall_in) argument
1476 complex*16 vall_in(*) local
1481 call dcopy(4*nfft3d,vall_in,1,dcpl_mb(vall(1)),1)
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/electron/ |
| H A D | electron.F | 2467 subroutine electron_set_vall(vall_in) argument
2469 real*8 vall_in(*) local
2476 > 4*nfft3d,vall_in,dbl_mb(vall(1)))
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/band/lib/electron/ |
| H A D | c_electron.F | 2031 subroutine c_electron_set_vall(vall_in) argument
2033 complex*16 vall_in(*) local
2038 call dcopy(4*nfft3d,vall_in,1,dcpl_mb(vall(1)),1)
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/electron/ |
| H A D | electron.F | 2244 subroutine electron_set_vall(vall_in) argument
2246 real*8 vall_in(*) local
2251 call dcopy(4*nfft3d,vall_in,1,dbl_mb(vall(1)),1)
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