Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop

types/types_xcpot.F90

@@ -20,6 +20,7 @@ MODULE m_types_xcpot
      REAL :: gmaxxc
    CONTAINS
      PROCEDURE        :: is_gga=>xcpot_is_gga
+     procedure        :: is_MetaGGA=>xcpot_is_MetaGGA
      PROCEDURE        :: is_hybrid=>xcpot_is_hybrid
      PROCEDURE        :: get_exchange_weight=>xcpot_get_exchange_weight
      PROCEDURE        :: get_vxc=>xcpot_get_vxc
@@ -52,6 +53,12 @@ CONTAINS
     xcpot_is_gga=.false.
   END FUNCTION xcpot_is_gga
 
+  LOGICAL FUNCTION xcpot_is_MetaGGA(xcpot)
+    IMPLICIT NONE
+    CLASS(t_xcpot),INTENT(IN):: xcpot
+    xcpot_is_MetaGGA=.false.
+  END FUNCTION xcpot_is_MetaGGA
+
   LOGICAL FUNCTION xcpot_is_hybrid(xcpot)
     IMPLICIT NONE
     CLASS(t_xcpot),INTENT(IN):: xcpot

types/types_xcpot_libxc.F90

@@ -22,6 +22,7 @@ MODULE m_types_xcpot_libxc
      INTEGER          :: func_id_c,func_id_x,jspins
    CONTAINS
      PROCEDURE        :: is_gga=>xcpot_is_gga
+     PROCEDURE        :: is_MetaGGA=>xcpot_is_MetaGGA
      PROCEDURE        :: is_hybrid=>xcpot_is_hybrid 
      PROCEDURE        :: get_exchange_weight=>xcpot_get_exchange_weight
      PROCEDURE        :: get_vxc=>xcpot_get_vxc
@@ -84,6 +85,14 @@ CONTAINS
 #endif
   END FUNCTION xcpot_is_gga
 
+  LOGICAL FUNCTION xcpot_is_MetaGGA(xcpot)
+    IMPLICIT NONE
+    CLASS(t_xcpot_libxc),INTENT(IN):: xcpot
+#ifdef CPP_LIBXC    
+    xcpot_is_MetaGGA=ANY((/XC_FAMILY_MGGA, XC_FAMILY_HYB_MGGA/)==xc_f03_func_info_get_family(xcpot%xc_info_x))
+#endif
+  END FUNCTION xcpot_is_MetaGGA
+
   LOGICAL FUNCTION xcpot_is_hybrid(xcpot)
     IMPLICIT NONE
     CLASS(t_xcpot_libxc),INTENT(IN):: xcpot

vgen/vis_xc.F90

@@ -31,7 +31,7 @@ CONTAINS
     !     ******************************************************************
     USE m_pw_tofrom_grid
     USE m_types
-     USE m_types_xcpot_libxc
+    USE m_types_xcpot_libxc
     USE m_libxc_postprocess_gga
     IMPLICIT NONE