Searched refs:vwn3_paramagnetic (Results 1 – 2 of 2) sorted by relevance
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/DALTON/dft/ |
H A D | fun-vwn.c | 165 vwn3_paramagnetic = { -0.4092860, 0.0621814, 13.0720, 42.7198 }, variable 874 return par_energy(dp, &vwn3_paramagnetic, &vwn3_ferromagnetic); in vwn3_energy() 880 par_first(ds, factor, dp, &vwn3_paramagnetic, &vwn3_ferromagnetic); in vwn3_first() 886 par_second(ds, factor, dp, &vwn3_paramagnetic, &vwn3_ferromagnetic); in vwn3_second() 892 par_third(ds, factor, dp, &vwn3_paramagnetic, &vwn3_ferromagnetic); in vwn3_third() 898 par_fourth(ds, factor, dp, &vwn3_paramagnetic, &vwn3_ferromagnetic); in vwn3_fourth() 1363 return spni_energy(dp, &vwn3_paramagnetic, &vwn3_ferromagnetic); in vwn3i_energy() 1369 spni_first(ds, factor, dp, &vwn3_paramagnetic, &vwn3_ferromagnetic); in vwn3i_first() 1375 spni_second(ds, factor, dp, &vwn3_paramagnetic, &vwn3_ferromagnetic); in vwn3i_second() 1381 spni_third(ds, factor, dp, &vwn3_paramagnetic, &vwn3_ferromagnetic); in vwn3i_third() [all …]
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/dports/science/ergo/ergo-3.8/source/dft/ |
H A D | fun-vwn.c | 159 vwn3_paramagnetic = { -0.4092860, 0.0621814, 13.0720, 42.7198 }, variable 527 return par_energy(dp, &vwn3_paramagnetic, &vwn3_ferromagnetic); in vwn3_energy() 533 par_first(ds, factor, dp, &vwn3_paramagnetic, &vwn3_ferromagnetic); in vwn3_first() 539 par_second(ds, factor, dp, &vwn3_paramagnetic, &vwn3_ferromagnetic); in vwn3_second() 545 par_third(ds, factor, dp, &vwn3_paramagnetic, &vwn3_ferromagnetic); in vwn3_third() 1024 return spni_energy(dp, &vwn3_paramagnetic, &vwn3_ferromagnetic); in vwn3i_energy() 1030 spni_first(ds, factor, dp, &vwn3_paramagnetic, &vwn3_ferromagnetic); in vwn3i_first() 1036 spni_second(ds, factor, dp, &vwn3_paramagnetic, &vwn3_ferromagnetic); in vwn3i_second()
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