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)
	...
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)
	...