occ
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#include <point_functors.h>
Public Member Functions | |
PromolDensityFunctor (const AtomList &a) | |
void | operator() (Eigen::Ref< const Mat3N > points, Eigen::Ref< Vec > dest) |
Public Attributes | |
AtomList | atoms |
Vec | charges |
pfimpl::InterpolatorParams | interpolator_params |
std::vector< pfimpl::AtomInterpolator > | atom_interpolators |
occ::main::PromolDensityFunctor::PromolDensityFunctor | ( | const AtomList & | a | ) |
void occ::main::PromolDensityFunctor::operator() | ( | Eigen::Ref< const Mat3N > | points, |
Eigen::Ref< Vec > | dest | ||
) |
std::vector<pfimpl::AtomInterpolator> occ::main::PromolDensityFunctor::atom_interpolators |
AtomList occ::main::PromolDensityFunctor::atoms |
Vec occ::main::PromolDensityFunctor::charges |
pfimpl::InterpolatorParams occ::main::PromolDensityFunctor::interpolator_params |