MP2: Rename modules

cp2k · Jul 5, 2019 · bf35407 · bf35407
1 parent 7bf94bb
commit bf35407
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Showing 5 changed files with 11 additions and 11 deletions.
diff --git a/src/mp2_cphf.F b/src/mp2_cphf.F
@@ -54,7 +54,7 @@ MODULE mp2_cphf
    USE machine,                         ONLY: m_walltime
    USE mathconstants,                   ONLY: fourpi
    USE message_passing,                 ONLY: mp_sum
-   USE mp2_ri_gpw_in,                   ONLY: calc_potential_gpw
+   USE mp2_integrals,                   ONLY: calc_potential_gpw
    USE mp2_types,                       ONLY: mp2_type
    USE pw_env_types,                    ONLY: pw_env_get,&
                                               pw_env_type

diff --git a/src/mp2_gpw.F b/src/mp2_gpw.F
@@ -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_en,                   ONLY: mp2_ri_gpw_compute_en
-   USE mp2_ri_gpw_in,                   ONLY: mp2_ri_gpw_compute_in
+   USE mp2_ri_gpw,                      ONLY: mp2_ri_gpw_compute_en
+   USE mp2_integrals,                   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

diff --git a/src/mp2_ri_gpw_in.F → src/mp2_integrals.F b/src/mp2_ri_gpw_in.F → src/mp2_integrals.F
@@ -9,7 +9,7 @@
 !>      06.2012 created [Mauro Del Ben]
 !>      03.2019 separated from mp2_ri_gpw [Frederick Stein]
 ! **************************************************************************************************
-MODULE mp2_ri_gpw_in
+MODULE mp2_integrals
    USE ai_contraction_sphi,             ONLY: ab_contract,&
                                               abc_contract
    USE ai_overlap3,                     ONLY: overlap3
@@ -152,7 +152,7 @@ MODULE mp2_ri_gpw_in
 
    PRIVATE
 
-   CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'mp2_ri_gpw_in'
+   CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'mp2_integrals'
 
    PUBLIC :: mp2_ri_gpw_compute_in, calc_potential_gpw
 
@@ -5754,4 +5754,4 @@ SUBROUTINE calc_potential_gpw(rho_r, rho_g, poisson_env, pot_g, potential_type)
 
    END SUBROUTINE calc_potential_gpw
 
-END MODULE mp2_ri_gpw_in
+END MODULE mp2_integrals
diff --git a/src/mp2_ri_gpw_en.F → src/mp2_ri_gpw.F b/src/mp2_ri_gpw_en.F → src/mp2_ri_gpw.F
@@ -4,12 +4,12 @@
 !--------------------------------------------------------------------------------------------------!
 
 ! **************************************************************************************************
-!> \brief Rountines to calculate RI-GPW-MP2 energy using pw
+!> \brief Routines to calculate RI-GPW-MP2 energy using pw
 !> \par History
 !>      06.2012 created [Mauro Del Ben]
 !>      03.2019 Refactored from mp2_ri_gpw [Frederick Stein]
 ! **************************************************************************************************
-MODULE mp2_ri_gpw_en
+MODULE mp2_ri_gpw
    USE cp_para_env,                     ONLY: cp_para_env_create,&
                                               cp_para_env_release
    USE cp_para_types,                   ONLY: cp_para_env_type
@@ -37,7 +37,7 @@ MODULE mp2_ri_gpw_en
 
    PRIVATE
 
-   CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'mp2_ri_gpw_en'
+   CHARACTER(len=*), PARAMETER, PRIVATE :: moduleN = 'mp2_ri_gpw'
 
    PUBLIC :: mp2_ri_gpw_compute_en
 
@@ -3033,4 +3033,4 @@ SUBROUTINE Find_quasi_degenerate_ij(my_ijk, homo, Eigenval, mp2_env, ijk_map, un
 
    END SUBROUTINE Find_quasi_degenerate_ij
 
-END MODULE mp2_ri_gpw_en
+END MODULE mp2_ri_gpw
diff --git a/src/mp2_ri_grad.F b/src/mp2_ri_grad.F
@@ -50,7 +50,7 @@ MODULE mp2_ri_grad
                                               mp2_eri_3c_integrate,&
                                               mp2_eri_deallocate_forces,&
                                               mp2_eri_force
-   USE mp2_ri_gpw_in,                   ONLY: calc_potential_gpw
+   USE mp2_integrals,                   ONLY: calc_potential_gpw
    USE mp2_types,                       ONLY: integ_mat_buffer_type,&
                                               integ_mat_buffer_type_2D,&
                                               mp2_type