after_all_runners(UnitCell &ucell) override | ModuleESolver::ESolver_LJ | virtual |
before_all_runners(UnitCell &ucell, const Input_para &inp) override | ModuleESolver::ESolver_LJ | virtual |
cal_en_shift(const int &ntype, const bool &is_shift) | ModuleESolver::ESolver_LJ | private |
cal_energy() override | ModuleESolver::ESolver_LJ | virtual |
cal_force(UnitCell &ucell, ModuleBase::matrix &force) override | ModuleESolver::ESolver_LJ | virtual |
cal_stress(UnitCell &ucell, ModuleBase::matrix &stress) override | ModuleESolver::ESolver_LJ | virtual |
classname | ModuleESolver::ESolver | |
conv_esolver | ModuleESolver::ESolver | |
en_shift | ModuleESolver::ESolver_LJ | private |
ESolver() | ModuleESolver::ESolver | inline |
ESolver_LJ() | ModuleESolver::ESolver_LJ | inline |
lj_c12 | ModuleESolver::ESolver_LJ | private |
lj_c6 | ModuleESolver::ESolver_LJ | private |
LJ_energy(const double &d, const int &i, const int &j) | ModuleESolver::ESolver_LJ | private |
lj_force | ModuleESolver::ESolver_LJ | private |
LJ_force(const ModuleBase::Vector3< double > &dr, const int &i, const int &j) | ModuleESolver::ESolver_LJ | private |
lj_potential | ModuleESolver::ESolver_LJ | private |
lj_rcut | ModuleESolver::ESolver_LJ | private |
LJ_virial(const ModuleBase::Vector3< double > &force, const ModuleBase::Vector3< double > &dtau) | ModuleESolver::ESolver_LJ | private |
lj_virial | ModuleESolver::ESolver_LJ | private |
others(UnitCell &ucell, const int istep) | ModuleESolver::ESolver | inlinevirtual |
rcut_search_radius(const int &ntype, const std::vector< double > &rcut) | ModuleESolver::ESolver_LJ | private |
runner(UnitCell &cell, const int istep) override | ModuleESolver::ESolver_LJ | virtual |
search_radius | ModuleESolver::ESolver_LJ | private |
set_c6_c12(const int &ntype, const int &rule, const std::vector< double > &epsilon, const std::vector< double > &sigma) | ModuleESolver::ESolver_LJ | private |
~ESolver() | ModuleESolver::ESolver | inlinevirtual |