Remove __SIRIUS conditional code

cp2k · Sep 19, 2022 · 80f9abb · 80f9abb
1 parent 86aeba6
commit 80f9abb
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Showing 2 changed files with 14 additions and 15 deletions.
diff --git a/src/input_cp2k_subsys.F b/src/input_cp2k_subsys.F
@@ -2246,7 +2246,6 @@ SUBROUTINE create_dft_plus_u_section(section)
                           n_keywords=3, &
                           n_subsections=1, &
                           repeats=.FALSE.)
-
       NULLIFY (keyword)
 
       CALL keyword_create(keyword, __LOCATION__, &
@@ -2270,19 +2269,6 @@ SUBROUTINE create_dft_plus_u_section(section)
       CALL section_add_keyword(section, keyword)
       CALL keyword_release(keyword)
 
-#if defined(__SIRIUS)
-      CALL keyword_create(keyword, __LOCATION__, &
-                          name="N", &
-                          description="principal quantum number of the"// &
-                          "orbitals to which the correction is applied. Ignored unless pwdft is used for the calculations", &
-                          repeats=.FALSE., &
-                          n_var=1, &
-                          type_of_var=integer_t, &
-                          default_i_val=-1, &
-                          usage="N 2")
-      CALL section_add_keyword(section, keyword)
-      CALL keyword_release(keyword)
-
       CALL keyword_create(keyword, __LOCATION__, &
                           name="U_MINUS_J", &
                           variants=(/"U_EFF"/), &
@@ -2296,6 +2282,18 @@ SUBROUTINE create_dft_plus_u_section(section)
       CALL section_add_keyword(section, keyword)
       CALL keyword_release(keyword)
 
+      CALL keyword_create(keyword, __LOCATION__, &
+                          name="N", &
+                          description="principal quantum number of the"// &
+                          "orbitals to which the correction is applied. Ignored unless pwdft is used for the calculations", &
+                          repeats=.FALSE., &
+                          n_var=1, &
+                          type_of_var=integer_t, &
+                          default_i_val=-1, &
+                          usage="N 2")
+      CALL section_add_keyword(section, keyword)
+      CALL keyword_release(keyword)
+
       CALL keyword_create(keyword, __LOCATION__, &
                           name="U", &
                           description="U parameter in the theory of Dudarev et al. Ignored unless pwdft is used", &
@@ -2366,7 +2364,6 @@ SUBROUTINE create_dft_plus_u_section(section)
                           usage="occupation 6")
       CALL section_add_keyword(section, keyword)
       CALL keyword_release(keyword)
-#endif
 
       CALL keyword_create(keyword, __LOCATION__, &
                           name="U_RAMPING", &

diff --git a/src/qs_kind_types.F b/src/qs_kind_types.F
@@ -1930,6 +1930,8 @@ SUBROUTINE read_qs_kind(qs_kind, kind_section, para_env, force_env_section, no_f
             CALL section_vals_val_get(dft_plus_u_section, &
                                       keyword_name="occupation", &
                                       r_val=qs_kind%dft_plus_u%occupation)
+#else
+            nu = 0; 
 #endif
 
             CALL section_vals_val_get(dft_plus_u_section, &