add XC info to usage.json

io/r_inpXML.F90

@@ -2133,8 +2133,44 @@ input%preconditioning_param = evaluateFirstOnly(xmlGetAttributeValue('/fleurInpu
          CALL xcpot%init(jspins,id_x,id_c)
       END SELECT
 
+      CALL set_xcpot_usage(xcpot)
    END SUBROUTINE setXCParameters
 
+   SUBROUTINE set_xcpot_usage(xcpot)
+      use m_judft_usage
+      USE m_types
+      USE m_types_xcpot_inbuild
+      USE m_types_xcpot_libxc
+      implicit none
+      class(t_xcpot), intent(in)    :: xcpot
+
+      ! give some information about XC functional to usage.json
+      ! 1 -> LDA
+      ! 2 -> GGA
+      ! 3 -> MetaGGA
+      ! 4 -> Hybrid functional
+      if(xcpot%is_lda()) then
+         call add_usage_data("XC-treatment", 1)
+         return
+      endif
+
+      if(xcpot%is_MetaGGA()) then
+         call add_usage_data("XC-treatment", 3)
+         return
+      endif
+
+      if(xcpot%is_GGA()) then
+         call add_usage_data("XC-treatment", 2)
+         return
+      endif
+
+      if(xcpot%is_hybrid()) then
+         call add_usage_data("XC-treatment", 4)
+         return
+      endif
+
+   END SUBROUTINE set_xcpot_usage
+
    SUBROUTINE getIntegerSequenceFromString(string, sequence, count)
 
       IMPLICIT NONE

juDFT/usage_data.F90

@@ -32,8 +32,8 @@ CONTAINS
       IMPLICIT NONE
       CHARACTER(len=*),INTENT(IN):: key
       INTEGER,intent(in)         :: value
-
       CHARACTER(len=20)::txt
+
       WRITE(txt,*) VALUE
       CALL add_usage_data_s(key,txt)
    END SUBROUTINE add_usage_data_i

types/types_xcpot.F90

@@ -19,6 +19,7 @@ MODULE m_types_xcpot
    TYPE,ABSTRACT :: t_xcpot
       REAL :: gmaxxc
    CONTAINS
+      PROCEDURE        :: is_lda=>xcpot_is_lda
       PROCEDURE        :: is_gga=>xcpot_is_gga
       PROCEDURE        :: is_MetaGGA=>xcpot_is_MetaGGA
       PROCEDURE        :: needs_grad=>xcpot_needs_grad
@@ -47,6 +48,11 @@ MODULE m_types_xcpot
    END TYPE t_gradients
 
 CONTAINS
+   LOGICAL FUNCTION xcpot_is_lda(xcpot)
+      IMPLICIT NONE
+      CLASS(t_xcpot),INTENT(IN):: xcpot
+      xcpot_is_lda=.false.
+   END FUNCTION xcpot_is_lda
 
    LOGICAL FUNCTION xcpot_is_gga(xcpot)
       IMPLICIT NONE

types/types_xcpot_inbuild.F90

@@ -43,6 +43,7 @@ MODULE m_types_xcpot_inbuild
 
    CONTAINS
       !overloading t_xcpot:
+      PROCEDURE        :: is_lda=>xcpot_is_lda
       PROCEDURE        :: is_gga=>xcpot_is_gga
       PROCEDURE        :: is_hybrid=>xcpot_is_hybrid
       PROCEDURE        :: get_exchange_weight=>xcpot_get_exchange_weight
@@ -105,6 +106,12 @@ CONTAINS
       xcpot%DATA%exchange_weight=xcpot%get_exchange_weight()
 
    END SUBROUTINE xcpot_init
+   
+   LOGICAL FUNCTION xcpot_is_lda(xcpot)
+      IMPLICIT NONE
+      CLASS(t_xcpot_inbuild),INTENT(IN):: xcpot
+      xcpot_is_lda = (.not. xcpot%is_gga()) .and. (.not. xcpot%is_hybrid())
+   END FUNCTION xcpot_is_lda
 
    LOGICAL FUNCTION xcpot_is_gga(xcpot)
       IMPLICIT NONE