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Searched refs:rho_1pxc (Results 1 – 20 of 20) sorted by relevance

/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cgsd/
H A Dnominimize.F43 real*8 rho_1pxc
53 external rho_1pxc
131 pxc = rho_1pxc()
137 pxc = rho_1pxc()
H A Dbfgsminimize2.F67 real*8 rho_1pxc local
82 external rho_1pxc
261 pxc = rho_1pxc()
H A Dbfgsminimize3.F65 real*8 rho_1pxc local
80 external rho_1pxc
263 pxc = rho_1pxc()
H A Dcgminimize2.F63 real*8 rho_1pxc local
78 external rho_1pxc
278 pxc = rho_1pxc()
H A Dcgminimize.F68 real*8 rho_1pxc local
83 external rho_1pxc
418 Enew0 = rho_1pxc()
H A Dbybminimize.F73 real*8 rho_1pxc local
87 external rho_1pxc
437 pxc = rho_1pxc()
H A Dbfgsminimize.F72 real*8 rho_1pxc local
87 external rho_1pxc
435 Enew0 = rho_1pxc()
H A Dbybminimize2.F93 real*8 rho_1pxc local
108 external rho_1pxc
552 pxc = rho_1pxc()
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cgsd/
H A Dnominimize.F40 real*8 rho_1pxc
50 external rho_1pxc
114 pxc = rho_1pxc()
H A Dbfgsminimize3.F62 real*8 rho_1pxc
77 external rho_1pxc
247 pxc = rho_1pxc()
H A Dbfgsminimize2.F64 real*8 rho_1pxc
79 external rho_1pxc
248 pxc = rho_1pxc()
H A Dcgminimize2.F60 real*8 rho_1pxc
75 external rho_1pxc
261 pxc = rho_1pxc()
H A Dbfgsminimize.F69 real*8 rho_1pxc
84 external rho_1pxc
412 Enew0 = rho_1pxc()
H A Dcgminimize.F66 real*8 rho_1pxc
81 external rho_1pxc
395 Enew0 = rho_1pxc()
H A Dbybminimize.F70 real*8 rho_1pxc
84 external rho_1pxc
368 pxc = rho_1pxc()
H A Dbybminimize2.F73 real*8 rho_1pxc
88 external rho_1pxc
429 pxc = rho_1pxc()
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/minimizer/
H A Dofpw_cgminimize.F59 real*8 rho_1pxc local
74 external rho_1pxc
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/ofpw/minimizer/
H A Dofpw_cgminimize.F59 real*8 rho_1pxc
74 external rho_1pxc
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/lib/psi/
H A Dpsi.F3427 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(),
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/lib/psi/
H A Dpsi.F5695 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(),