mp2_direct_method.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Modules
module	mp2_direct_method
	Routines to calculate MP2 energy.

Functions/Subroutines
subroutine, public	mp2_direct_method::mp2_direct_energy (dimen, occ_i, occ_j, mp2_biel, mp2_env, C_i, Auto_i, Emp2, Emp2_Cou, Emp2_ex, qs_env, para_env, unit_nr, C_j, Auto_j)
	... More...
subroutine, public	mp2_direct_method::mp2_canonical_direct_single_batch (Emp2, Emp2_Cou, Emp2_ex, mp2_env, qs_env, para_env, mp2_biel, dimen, C, Auto, i_batch_start, Ni_occupied, occupied, elements_ij_proc, ij_list_proc, Nj_occupied, j_batch_start, occupied_beta, C_beta, Auto_beta, Integ_MP2)
	... More...