|
ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
|
Namespaces | |
| namespace | OperatorForceStress |
Functions | |
| void | OperatorForceStress::finalize_force_stress (bool cal_force, bool cal_stress, const UnitCell *ucell, const std::vector< double > &stress_tmp, ModuleBase::matrix &force, ModuleBase::matrix &stress, double force_factor=2.0, double stress_factor=2.0) |
| Finalize force and stress calculations with MPI reduction and post-processing. | |