Split input_cp2k_dft.F (cp2k#3554)

hfp · Jul 17, 2024 · 55a83f1 · 55a83f1
1 parent 68ba995
commit 55a83f1
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Showing 11 changed files with 9,376 additions and 8,900 deletions.
diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt
@@ -246,6 +246,13 @@ list(
   input_cp2k_colvar.F
   input_cp2k_constraints.F
   input_cp2k_dft.F
+  input_cp2k_print_dft.F
+  input_cp2k_scf.F
+  input_cp2k_as.F
+  input_cp2k_opt.F
+  input_cp2k_qs.F
+  input_cp2k_se.F
+  input_cp2k_xas.F
   input_cp2k_distribution.F
   input_cp2k_ec.F
   input_cp2k_eip.F

diff --git a/src/input_cp2k_as.F b/src/input_cp2k_as.F
diff --git a/src/input_cp2k_dft.F b/src/input_cp2k_dft.F
diff --git a/src/input_cp2k_opt.F b/src/input_cp2k_opt.F
diff --git a/src/input_cp2k_print_dft.F b/src/input_cp2k_print_dft.F
diff --git a/src/input_cp2k_properties_dft.F b/src/input_cp2k_properties_dft.F
@@ -40,10 +40,10 @@ MODULE input_cp2k_properties_dft
       tddfpt_kernel_none, tddfpt_kernel_stda, use_mom_ref_coac, use_mom_ref_com, &
       use_mom_ref_user, use_mom_ref_zero
    USE input_cp2k_atprop, ONLY: create_atprop_section
-   USE input_cp2k_dft, ONLY: create_ddapc_restraint_section, &
-                             create_interp_section, &
-                             create_lrigpw_section, &
+   USE input_cp2k_dft, ONLY: create_interp_section, &
                              create_mgrid_section
+   USE input_cp2k_qs, ONLY: create_ddapc_restraint_section, &
+                            create_lrigpw_section
    USE input_cp2k_kpoints, ONLY: create_kpoint_set_section
    USE input_cp2k_loc, ONLY: create_localize_section
    USE input_cp2k_resp, ONLY: create_resp_section

diff --git a/src/input_cp2k_qs.F b/src/input_cp2k_qs.F
diff --git a/src/input_cp2k_scf.F b/src/input_cp2k_scf.F
diff --git a/src/input_cp2k_se.F b/src/input_cp2k_se.F
diff --git a/src/input_cp2k_xas.F b/src/input_cp2k_xas.F
diff --git a/src/scf_control_types.F b/src/scf_control_types.F
@@ -28,7 +28,7 @@ MODULE scf_control_types
         outer_scf_optimizer_diis, outer_scf_optimizer_newton, outer_scf_optimizer_newton_ls, &
         outer_scf_optimizer_none, outer_scf_optimizer_sd, outer_scf_optimizer_secant, &
         outer_scf_s2_constraint, smear_energy_window, smear_fermi_dirac, smear_list
-   USE input_cp2k_dft,                  ONLY: create_scf_section
+   USE input_cp2k_scf,                  ONLY: create_scf_section
    USE input_enumeration_types,         ONLY: enum_i2c,&
                                               enumeration_type
    USE input_keyword_types,             ONLY: keyword_get,&