occ
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#include <point_functors.h>
Public Member Functions | |
EspFunctor (const Wavefunction &wfn) | |
void | operator() (Eigen::Ref< const Mat3N > points, Eigen::Ref< Vec > dest) |
Public Attributes | |
const Wavefunction & | wfn |
qm::HartreeFock | hf |
occ::isosurface::EspFunctor::EspFunctor | ( | const Wavefunction & | wfn | ) |
void occ::isosurface::EspFunctor::operator() | ( | Eigen::Ref< const Mat3N > | points, |
Eigen::Ref< Vec > | dest | ||
) |
qm::HartreeFock occ::isosurface::EspFunctor::hf |
const Wavefunction& occ::isosurface::EspFunctor::wfn |