fix indentanion, so merges work

vgen/vis_xc.F90

@@ -9,72 +9,72 @@
 ! of the MIT license as expressed in the LICENSE file in more detail.
 !--------------------------------------------------------------------------------
 MODULE m_vis_xc
-  USE m_juDFT
-  !     ******************************************************
-  !     subroutine generates the exchange-correlation potential
-  !     in the interstitial region    c.l.fu
-  !     including gradient corrections. t.a. 1996.
-  !     ******************************************************
+   USE m_juDFT
+   !     ******************************************************
+   !     subroutine generates the exchange-correlation potential
+   !     in the interstitial region    c.l.fu
+   !     including gradient corrections. t.a. 1996.
+   !     ******************************************************
 CONTAINS
-  SUBROUTINE vis_xc(stars,sym,cell,den,xcpot,input,noco, vxc,vx,exc)
+   SUBROUTINE vis_xc(stars,sym,cell,den,xcpot,input,noco, vxc,vx,exc)
 
-    !     ******************************************************
-    !     instead of visxcor.f: the different exchange-correlation
-    !     potentials defined through the key icorr are called through
-    !     the driver subroutine vxcallg.f,for the energy density - excallg
-    !     subroutines vectorized
-    !     ** r.pentcheva 22.01.96
-    !     *********************************************************
-    !     in case of total = .true. calculates the ex-corr. energy
-    !     density
-    !     ** r.pentcheva 08.05.96
-    !     ******************************************************************
-    USE m_pw_tofrom_grid
-    USE m_types
-    USE m_types_xcpot_libxc
-    USE m_libxc_postprocess_gga
-    IMPLICIT NONE
+      !     ******************************************************
+      !     instead of visxcor.f: the different exchange-correlation
+      !     potentials defined through the key icorr are called through
+      !     the driver subroutine vxcallg.f,for the energy density - excallg
+      !     subroutines vectorized
+      !     ** r.pentcheva 22.01.96
+      !     *********************************************************
+      !     in case of total = .true. calculates the ex-corr. energy
+      !     density
+      !     ** r.pentcheva 08.05.96
+      !     ******************************************************************
+      USE m_pw_tofrom_grid
+      USE m_types
+      USE m_types_xcpot_libxc
+      USE m_libxc_postprocess_gga
+      IMPLICIT NONE
 
-    CLASS(t_xcpot),INTENT(IN)     :: xcpot
-    TYPE(t_input),INTENT(IN)      :: input
-    TYPE(t_noco),INTENT(IN)       :: noco
-    TYPE(t_sym),INTENT(IN)        :: sym
-    TYPE(t_stars),INTENT(IN)      :: stars
-    TYPE(t_cell),INTENT(IN)       :: cell
-    TYPE(t_potden),INTENT(IN)     :: den
-    TYPE(t_potden),INTENT(INOUT)  :: vxc,vx,exc
-    
-    TYPE(t_gradients) :: grad
-    REAL, ALLOCATABLE :: rho(:,:)
-    REAL, ALLOCATABLE :: v_x(:,:),v_xc(:,:),e_xc(:,:) 
-  
-    CALL init_pw_grid(xcpot,stars,sym,cell)
+      CLASS(t_xcpot),INTENT(IN)     :: xcpot
+      TYPE(t_input),INTENT(IN)      :: input
+      TYPE(t_noco),INTENT(IN)       :: noco
+      TYPE(t_sym),INTENT(IN)        :: sym
+      TYPE(t_stars),INTENT(IN)      :: stars
+      TYPE(t_cell),INTENT(IN)       :: cell
+      TYPE(t_potden),INTENT(IN)     :: den
+      TYPE(t_potden),INTENT(INOUT)  :: vxc,vx,exc
 
-    !Put the charge on the grid, in GGA case also calculate gradients
-    CALL pw_to_grid(xcpot,input%jspins,noco%l_noco,stars,cell,den%pw,grad,rho)
-    ALLOCATE(v_xc,mold=rho)
-    ALLOCATE(v_x,mold=rho)
+      TYPE(t_gradients) :: grad
+      REAL, ALLOCATABLE :: rho(:,:)
+      REAL, ALLOCATABLE :: v_x(:,:),v_xc(:,:),e_xc(:,:)
 
-    CALL xcpot%get_vxc(input%jspins,rho,v_xc,v_x,grad)
+      CALL init_pw_grid(xcpot,stars,sym,cell)
 
-    IF (xcpot%is_gga()) THEN
-       SELECT TYPE(xcpot)
-       TYPE IS (t_xcpot_libxc)
-          CALL libxc_postprocess_gga_pw(xcpot,stars,cell,v_xc,grad)
-       END SELECT
-    ENDIF
-    !Put the potentials in rez. space. 
-    CALL  pw_from_grid(xcpot,stars,input%total,v_xc,vxc%pw,vxc%pw_w)
-    CALL  pw_from_grid(xcpot,stars,input%total,v_x,vx%pw,vx%pw_w)
+      !Put the charge on the grid, in GGA case also calculate gradients
+      CALL pw_to_grid(xcpot,input%jspins,noco%l_noco,stars,cell,den%pw,grad,rho)
+      ALLOCATE(v_xc,mold=rho)
+      ALLOCATE(v_x,mold=rho)
 
-    !calculate the ex.-cor energy density 
-    IF (ALLOCATED(exc%pw_w)) THEN
-       ALLOCATE ( e_xc(SIZE(rho,1),1) );e_xc=0.0
-       CALL xcpot%get_exc(input%jspins,rho,e_xc(:,1),grad)
-       CALL pw_from_grid(xcpot,stars,.TRUE.,e_xc,exc%pw,exc%pw_w)
-    ENDIF
+      CALL xcpot%get_vxc(input%jspins,rho,v_xc,v_x,grad)
 
-    CALL finish_pw_grid()
-    
-  END SUBROUTINE vis_xc
+      IF (xcpot%is_gga()) THEN
+         SELECT TYPE(xcpot)
+         TYPE IS (t_xcpot_libxc)
+            CALL libxc_postprocess_gga_pw(xcpot,stars,cell,v_xc,grad)
+         END SELECT
+      ENDIF
+      !Put the potentials in rez. space.
+      CALL  pw_from_grid(xcpot,stars,input%total,v_xc,vxc%pw,vxc%pw_w)
+      CALL  pw_from_grid(xcpot,stars,input%total,v_x,vx%pw,vx%pw_w)
+
+      !calculate the ex.-cor energy density
+      IF (ALLOCATED(exc%pw_w)) THEN
+         ALLOCATE ( e_xc(SIZE(rho,1),1) ); e_xc=0.0
+         CALL xcpot%get_exc(input%jspins,rho,e_xc(:,1),grad)
+         CALL pw_from_grid(xcpot,stars,.TRUE.,e_xc,exc%pw,exc%pw_w)
+      ENDIF
+
+      CALL finish_pw_grid()
+
+   END SUBROUTINE vis_xc
 END MODULE m_vis_xc