/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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