/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/ofpw/minimizer/ |
H A D | ofpw_cgminimize.F | 91 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge local 93 external pspw_charge_Energy_ion,pspw_charge_Energy_charge 141 E(20) = pspw_charge_Energy_ion()
|
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/ofpw/minimizer/ |
H A D | ofpw_cgminimize.F | 91 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge 93 external pspw_charge_Energy_ion,pspw_charge_Energy_charge 141 E(20) = pspw_charge_Energy_ion()
|
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/cgsd/ |
H A D | nominimize.F | 65 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge 67 external pspw_charge_Energy_ion,pspw_charge_Energy_charge 187 E(20) = pspw_charge_Energy_ion() !*** independent of psi ***
|
H A D | bfgsminimize3.F | 92 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge 94 external pspw_charge_Energy_ion,pspw_charge_Energy_charge 279 E(20) = pspw_charge_Energy_ion()
|
H A D | bfgsminimize2.F | 94 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge 96 external pspw_charge_Energy_ion,pspw_charge_Energy_charge 280 E(20) = pspw_charge_Energy_ion()
|
H A D | cgminimize2.F | 90 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge 92 external pspw_charge_Energy_ion,pspw_charge_Energy_charge 294 E(20) = pspw_charge_Energy_ion()
|
H A D | bfgsminimize.F | 99 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge 101 external pspw_charge_Energy_ion,pspw_charge_Energy_charge 467 E(20) = pspw_charge_Energy_ion()
|
H A D | cgminimize.F | 100 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge 102 external pspw_charge_Energy_ion,pspw_charge_Energy_charge 478 E(20) = pspw_charge_Energy_ion()
|
H A D | bybminimize.F | 98 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge 100 external pspw_charge_Energy_ion,pspw_charge_Energy_charge 400 E(20) = pspw_charge_Energy_ion()
|
H A D | bybminimize2.F | 103 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge 106 external pspw_charge_Energy_ion,pspw_charge_Energy_charge 461 E(20) = pspw_charge_Energy_ion()
|
H A D | md_energy.F | 54 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge 56 external pspw_charge_Energy_ion,pspw_charge_Energy_charge
|
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cgsd/ |
H A D | nominimize.F | 68 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge 70 external pspw_charge_Energy_ion,pspw_charge_Energy_charge 182 E(50) = pspw_charge_Energy_ion()
|
H A D | bfgsminimize2.F | 97 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge local 99 external pspw_charge_Energy_ion,pspw_charge_Energy_charge 323 E(50) = pspw_charge_Energy_ion()
|
H A D | bfgsminimize3.F | 95 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge local 97 external pspw_charge_Energy_ion,pspw_charge_Energy_charge 325 E(50) = pspw_charge_Energy_ion()
|
H A D | cgminimize2.F | 93 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge local 95 external pspw_charge_Energy_ion,pspw_charge_Energy_charge 339 E(50) = pspw_charge_Energy_ion()
|
H A D | cgminimize.F | 103 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge local 104 external pspw_charge_Energy_ion,pspw_charge_Energy_charge 535 E(50) = pspw_charge_Energy_ion()
|
H A D | bybminimize.F | 101 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge local 103 external pspw_charge_Energy_ion,pspw_charge_Energy_charge 499 E(50) = pspw_charge_Energy_ion()
|
H A D | bfgsminimize.F | 102 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge local 104 external pspw_charge_Energy_ion,pspw_charge_Energy_charge 495 E(50) = pspw_charge_Energy_ion()
|
H A D | md_energy.F | 54 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge local 56 external pspw_charge_Energy_ion,pspw_charge_Energy_charge
|
H A D | bybminimize2.F | 123 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge local 126 external pspw_charge_Energy_ion,pspw_charge_Energy_charge 639 evnl = pspw_charge_Energy_ion()
|
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/cpsd/ |
H A D | inner_loop.F | 132 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge local 133 external pspw_charge_Energy_ion,pspw_charge_Energy_charge 861 E(50) = pspw_charge_Energy_ion()
|
H A D | inner_loop_md.F | 132 real*8 pspw_charge_Energy_ion,pspw_charge_Energy_charge local 133 external pspw_charge_Energy_ion,pspw_charge_Energy_charge 956 E(20) = pspw_charge_Energy_ion()
|
/dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwpw/pspw/charge/ |
H A D | pspw_charge.F | 911 real*8 function pspw_charge_Energy_ion() function 950 pspw_charge_Energy_ion = energy
|
/dports/science/nwchem-data/nwchem-7.0.2-release/src/nwpw/pspw/charge/ |
H A D | pspw_charge.F | 910 real*8 function pspw_charge_Energy_ion() 947 pspw_charge_Energy_ion = energy
|