(git:58e3e09)
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#include "./base/base_uses.f90"
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) |
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