Searched refs:ee_ener (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_ks_methods.F | 218 REAL(KIND=dp) :: ecore_ppl, edisp, ee_ener, ekin_mol, & local
479 ee_ener = 0.0_dp
481 ee_ener = ee_ener + pw_integral_ab(rho_r(ispin)%pw, vee%pw)
488 ee_ener = ee_ener + pw_integral_ab(rho0_s_rs%pw, vee%pw)
492 energy%ee = -ee_ener
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_ks_methods.F | 221 REAL(KIND=dp) :: ecore_ppl, edisp, ee_ener, ekin_mol, & local
488 ee_ener = 0.0_dp
490 ee_ener = ee_ener + pw_integral_ab(rho_r(ispin)%pw, vee%pw)
497 ee_ener = ee_ener + pw_integral_ab(rho0_s_rs%pw, vee%pw)
501 energy%ee = -ee_ener
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