ergo
integrals Directory Reference

Files

file  basis_func_extent.cc
file  basis_func_extent.h [code]
file  basis_func_extent_1el.cc
file  basis_func_extent_1el.h [code]
file  basis_func_pair_list.cc
file  basis_func_pair_list.h [code]
file  basis_func_pair_list_1el.cc
file  basis_func_pair_list_1el.h [code]
file  box_system.cc
 
The idea is that you have a list of items at different points in space,

and you want a hierarchical system of boxes containing those items.

file  box_system.h [code]
file  boysfunction.cc
file  boysfunction.h [code]
file  densityfitting.cc
file  densityfitting.h [code]
file  exponent_list.cc
file  exponent_list.h [code]
file  hermite_conversion_explicit.cc
file  hermite_conversion_explicit.h [code]
file  hermite_conversion_prep.cc
file  hermite_conversion_prep.h [code]
file  hermite_conversion_symb.cc
file  hermite_conversion_symb.h [code]
file  integral_info.cc
 defines IntegralInfo object.
file  integral_info.h [code]
file  integrals_1el.cc
file  integrals_1el.h [code]
file  integrals_1el_kinetic.cc
file  integrals_1el_kinetic.h [code]
file  integrals_1el_potential.cc
file  integrals_1el_potential.h [code]
file  integrals_1el_single.cc
file  integrals_1el_single.h [code]
file  integrals_2el.h [code]
file  integrals_2el_boxed.cc
file  integrals_2el_boxed.h [code]
file  integrals_2el_coulomb.cc
file  integrals_2el_coulomb.h [code]
file  integrals_2el_exchange.cc
file  integrals_2el_exchange.h [code]
file  integrals_2el_exchange_prep.cc
file  integrals_2el_exchange_prep.h [code]
file  integrals_2el_explicit.cc
file  integrals_2el_explicit.h [code]
file  integrals_2el_layer.cc
file  integrals_2el_layer.h [code]
file  integrals_2el_repeating.cc
file  integrals_2el_repeating.h [code]
file  integrals_2el_single.cc
file  integrals_2el_single.h [code]
file  integrals_2el_utils.cc
file  integrals_2el_utils.h [code]
file  integrals_general.cc
file  integrals_general.h [code]
file  integrals_hermite.cc
file  integrals_hermite.h [code]
file  matrix_norm.cc
file  matrix_norm.h [code]
file  mm_limit_table.cc
file  mm_limit_table.h [code]
file  monomial_info.cc
file  monomial_info.h [code]
file  multipole.cc
 
Code for computing multipole moments, and multipole

interaction and translation matrices.

file  multipole.h [code]
file  operator_matrix.cc
 Functions for computing the matrix of a dipole/quadrupole/etc operator.
file  operator_matrix.h [code]
file  organize_distrs.cc
file  organize_distrs.h [code]