ergo
JK::ExchWeights Struct Reference

#include <integral_info.h>

Public Member Functions

 ExchWeights ()

Public Attributes

ergo_real alpha
ergo_real beta
ergo_real mu
int computeRangeSeparatedExchange
 shortcut for |beta| != 0

Constructor & Destructor Documentation

◆ ExchWeights()

JK::ExchWeights::ExchWeights ( )
inline

References alpha, beta, computeRangeSeparatedExchange, and mu.

Member Data Documentation

◆ alpha

ergo_real JK::ExchWeights::alpha

Referenced by es_run(), ExchWeights(), get_2e_matrices_and_energy_restricted_open(), get_2e_matrices_and_energy_simple_sparse_unrestricted(), get_2e_matrices_and_energy_sparse_unrestricted(), get_2e_matrix_and_energy_simple_sparse(), get_2e_matrix_and_energy_sparse(), get_related_integrals_hermite(), and ErgoE2Evaluator::transform().

◆ beta

ergo_real JK::ExchWeights::beta

Referenced by es_run(), ExchWeights(), get_related_integrals_hermite(), and ErgoE2Evaluator::transform().

◆ computeRangeSeparatedExchange

int JK::ExchWeights::computeRangeSeparatedExchange

shortcut for |beta| != 0

Referenced by es_run(), ExchWeights(), get_2e_matrices_and_energy_restricted_open(), get_2e_matrices_and_energy_simple_sparse_unrestricted(), get_2e_matrices_and_energy_sparse_unrestricted(), get_2e_matrix_and_energy_simple_sparse(), get_2e_matrix_and_energy_sparse(), get_related_integrals_hermite(), and ErgoE2Evaluator::transform().

◆ mu

ergo_real JK::ExchWeights::mu

Referenced by es_run(), ExchWeights(), get_related_integrals_hermite(), and ErgoE2Evaluator::transform().

The documentation for this struct was generated from the following file: