/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cgsd/ |
H A D | nominimize.F | 43 real*8 rho_1pxc 53 external rho_1pxc 131 pxc = rho_1pxc() 137 pxc = rho_1pxc()
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H A D | bfgsminimize2.F | 67 real*8 rho_1pxc local 82 external rho_1pxc 261 pxc = rho_1pxc()
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H A D | bfgsminimize3.F | 65 real*8 rho_1pxc local 80 external rho_1pxc 263 pxc = rho_1pxc()
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H A D | cgminimize2.F | 63 real*8 rho_1pxc local 78 external rho_1pxc 278 pxc = rho_1pxc()
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H A D | cgminimize.F | 68 real*8 rho_1pxc local 83 external rho_1pxc 418 Enew0 = rho_1pxc()
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H A D | bybminimize.F | 73 real*8 rho_1pxc local 87 external rho_1pxc 437 pxc = rho_1pxc()
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H A D | bfgsminimize.F | 72 real*8 rho_1pxc local 87 external rho_1pxc 435 Enew0 = rho_1pxc()
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H A D | bybminimize2.F | 93 real*8 rho_1pxc local 108 external rho_1pxc 552 pxc = rho_1pxc()
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cgsd/ |
H A D | nominimize.F | 40 real*8 rho_1pxc 50 external rho_1pxc 114 pxc = rho_1pxc()
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H A D | bfgsminimize3.F | 62 real*8 rho_1pxc 77 external rho_1pxc 247 pxc = rho_1pxc()
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H A D | bfgsminimize2.F | 64 real*8 rho_1pxc 79 external rho_1pxc 248 pxc = rho_1pxc()
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H A D | cgminimize2.F | 60 real*8 rho_1pxc 75 external rho_1pxc 261 pxc = rho_1pxc()
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H A D | bfgsminimize.F | 69 real*8 rho_1pxc 84 external rho_1pxc 412 Enew0 = rho_1pxc()
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H A D | cgminimize.F | 66 real*8 rho_1pxc 81 external rho_1pxc 395 Enew0 = rho_1pxc()
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H A D | bybminimize.F | 70 real*8 rho_1pxc 84 external rho_1pxc 368 pxc = rho_1pxc()
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H A D | bybminimize2.F | 73 real*8 rho_1pxc 88 external rho_1pxc 429 pxc = rho_1pxc()
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/minimizer/ |
H A D | ofpw_cgminimize.F | 59 real*8 rho_1pxc local 74 external rho_1pxc
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/ofpw/minimizer/ |
H A D | ofpw_cgminimize.F | 59 real*8 rho_1pxc 74 external rho_1pxc
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/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/psi/ |
H A D | psi.F | 3427 real*8 function rho_1pxc() 3437 rho_1pxc = electron_pxc(dbl_mb(rho1(1))) 4970 real*8 rho_1exc,rho_1pxc,lattice_unitg,lattice_omega 4972 external rho_1exc,rho_1pxc,lattice_unitg,lattice_omega 4985 pxc = rho_1pxc() 7537 real*8 psi_1vnl,rho_1exc,rho_1pxc 7538 external psi_1vnl,rho_1exc,rho_1pxc 7545 > psi_1vnl(),rho_1exc(),rho_1pxc(),
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/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/psi/ |
H A D | psi.F | 5695 real*8 function rho_1pxc() 5705 rho_1pxc = electron_pxc(dbl_mb(rho1(1))) 7510 real*8 rho_1exc,rho_1pxc,lattice_unitg,lattice_omega 7512 external rho_1exc,rho_1pxc,lattice_unitg,lattice_omega 7525 pxc = rho_1pxc() 10350 real*8 psi_1vnl,rho_1exc,rho_1pxc 10351 external psi_1vnl,rho_1exc,rho_1pxc 10358 > psi_1vnl(),rho_1exc(),rho_1pxc(),
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