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MP2: Split mp2_ri_gpw
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The routines perform the integral calculation and energy calculation for RI-MP2 are completely independently. Thus, I split this module. It might be a good idea to rename some routines to provide more meaningful names.
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Frederick Stein authored and dev-zero committed Jul 5, 2019
1 parent 914cbfd commit 3659329
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Showing 3 changed files with 3,053 additions and 3,040 deletions.
4 changes: 2 additions & 2 deletions src/mp2_gpw.F
Original file line number Diff line number Diff line change
Expand Up @@ -88,8 +88,8 @@ MODULE mp2_gpw
USE molecule_kind_types, ONLY: molecule_kind_type
USE molecule_types, ONLY: molecule_type
USE mp2_cphf, ONLY: solve_z_vector_eq
USE mp2_ri_gpw, ONLY: mp2_ri_gpw_compute_en,&
mp2_ri_gpw_compute_in
USE mp2_ri_gpw_en, ONLY: mp2_ri_gpw_compute_en
USE mp2_ri_gpw_in, ONLY: mp2_ri_gpw_compute_in
USE mp2_ri_grad, ONLY: calc_ri_mp2_nonsep
USE mp2_types, ONLY: mp2_type
USE particle_methods, ONLY: get_particle_set
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