occ
Loading...
Searching...
No Matches
polarization.h File Reference
Include dependency graph for polarization.h:
This graph shows which files directly or indirectly include this file:

Namespaces

namespace  occ
namespace  occ::interaction
 interactions energies including CrystalExplorer model energies

Functions

double occ::interaction::ce_model_polarization_energy (const occ::IVec &atomic_numbers, const occ::Mat3N &efield, bool charged=false)
double occ::interaction::polarization_energy (const occ::Vec &polarizabilities, const occ::Mat3N &efield)

Variables

const std::array< double, 110 > occ::interaction::Thakkar_atomic_polarizability
const std::array< double, 110 > occ::interaction::Charged_atomic_polarizibility