(git:58e3e09)
mp2_gpw_method.F File Reference

Go to the source code of this file.

Modules

module  mp2_gpw_method
 Routines to calculate MP2 energy using GPW method.
 

Functions/Subroutines

subroutine, public mp2_gpw_method::mp2_gpw_compute (Emp2, Emp2_Cou, Emp2_EX, qs_env, para_env, para_env_sub, color_sub, cell, particle_set, atomic_kind_set, qs_kind_set, mo_coeff, Eigenval, nmo, homo, mat_munu, sab_orb_sub, mo_coeff_o, mo_coeff_v, eps_filter, unit_nr, mp2_memory, calc_ex, blacs_env_sub, Emp2_AB)
 ... More...