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Atomic-orbital Based Ab-initio Computation at UStc
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ModuleESolver::ESolver_LJ Member List

This is the complete list of members for ModuleESolver::ESolver_LJ, including all inherited members.

after_all_runners(UnitCell &ucell) overrideModuleESolver::ESolver_LJvirtual
before_all_runners(UnitCell &ucell, const Input_para &inp) overrideModuleESolver::ESolver_LJvirtual
cal_en_shift(const int &ntype, const bool &is_shift)ModuleESolver::ESolver_LJprivate
cal_energy() overrideModuleESolver::ESolver_LJvirtual
cal_force(UnitCell &ucell, ModuleBase::matrix &force) overrideModuleESolver::ESolver_LJvirtual
cal_stress(UnitCell &ucell, ModuleBase::matrix &stress) overrideModuleESolver::ESolver_LJvirtual
classnameModuleESolver::ESolver
conv_esolverModuleESolver::ESolver
en_shiftModuleESolver::ESolver_LJprivate
ESolver()ModuleESolver::ESolverinline
ESolver_LJ()ModuleESolver::ESolver_LJinline
lj_c12ModuleESolver::ESolver_LJprivate
lj_c6ModuleESolver::ESolver_LJprivate
LJ_energy(const double &d, const int &i, const int &j)ModuleESolver::ESolver_LJprivate
lj_forceModuleESolver::ESolver_LJprivate
LJ_force(const ModuleBase::Vector3< double > &dr, const int &i, const int &j)ModuleESolver::ESolver_LJprivate
lj_potentialModuleESolver::ESolver_LJprivate
lj_rcutModuleESolver::ESolver_LJprivate
LJ_virial(const ModuleBase::Vector3< double > &force, const ModuleBase::Vector3< double > &dtau)ModuleESolver::ESolver_LJprivate
lj_virialModuleESolver::ESolver_LJprivate
others(UnitCell &ucell, const int istep)ModuleESolver::ESolverinlinevirtual
rcut_search_radius(const int &ntype, const std::vector< double > &rcut)ModuleESolver::ESolver_LJprivate
runner(UnitCell &cell, const int istep) overrideModuleESolver::ESolver_LJvirtual
search_radiusModuleESolver::ESolver_LJprivate
set_c6_c12(const int &ntype, const int &rule, const std::vector< double > &epsilon, const std::vector< double > &sigma)ModuleESolver::ESolver_LJprivate
~ESolver()ModuleESolver::ESolverinlinevirtual