Searched refs:e_plus_delta (Results 1 – 1 of 1) sorted by relevance
3115 e_plus_delta = Energy(false); in NumericalDerivative()3117 e_plus_delta = 0.0; in NumericalDerivative()3127 e_plus_delta += E_OOP(false); in NumericalDerivative()3129 e_plus_delta += E_VDW(false); in NumericalDerivative()3140 e_plus_delta = Energy(false); in NumericalDerivative()3142 e_plus_delta = 0.0; in NumericalDerivative()3152 e_plus_delta += E_OOP(false); in NumericalDerivative()3154 e_plus_delta += E_VDW(false); in NumericalDerivative()3165 e_plus_delta = Energy(false); in NumericalDerivative()3167 e_plus_delta = 0.0; in NumericalDerivative()[all …]