|
occ
|
#include <point_functors.h>
Public Member Functions | |
| DeformationDensityFunctor (const Wavefunction &wfn, SpinConstraint=SpinConstraint::Total) | |
| void | operator() (Eigen::Ref< const Mat3N > points, Eigen::Ref< Vec > dest) |
Public Attributes | |
| PromolDensityFunctor | pro_func |
| ElectronDensityFunctor | rho_func |
| occ::main::DeformationDensityFunctor::DeformationDensityFunctor | ( | const Wavefunction & | wfn, |
| SpinConstraint | = SpinConstraint::Total |
||
| ) |
| void occ::main::DeformationDensityFunctor::operator() | ( | Eigen::Ref< const Mat3N > | points, |
| Eigen::Ref< Vec > | dest | ||
| ) |
| PromolDensityFunctor occ::main::DeformationDensityFunctor::pro_func |
| ElectronDensityFunctor occ::main::DeformationDensityFunctor::rho_func |