From ef9eb1a052f79da02cdd99906d383b18ab81eb59 Mon Sep 17 00:00:00 2001 From: Daniel Wortmann Date: Fri, 27 Apr 2018 11:47:58 +0200 Subject: [PATCH] Removed debugging IO. --- types/types_xcpot_inbuild.F90 | 2 -- types/types_xcpot_libxc.F90 | 7 ++----- 2 files changed, 2 insertions(+), 7 deletions(-) diff --git a/types/types_xcpot_inbuild.F90 b/types/types_xcpot_inbuild.F90 index d128c49b..1241b856 100644 --- a/types/types_xcpot_inbuild.F90 +++ b/types/types_xcpot_inbuild.F90 @@ -198,7 +198,6 @@ CONTAINS ENDIF ELSE ! pbe or similar CALL vxcepbe(xcpot%DATA,jspins,ngrid,ngrid,rh, grad%agrt,grad%agru,grad%agrd,grad%g2ru,grad%g2rd,grad%gggrt,grad%gggru,grad%gggrd, vx,vxc) - PRINT *,"xc:",vxc(2,:)/2,rh(2,:),grad%agrt(2) ENDIF ELSE !LDA potentials IF (xcpot%is_name("x-a")) THEN ! X-alpha method @@ -307,7 +306,6 @@ CONTAINS ENDIF !c-----> hartree units exc= hrtr_half*exc - PRINT *,"EX:",rh(2,:),sqrt(grad%agrt(2)),exc(2) END SUBROUTINE xcpot_get_exc diff --git a/types/types_xcpot_libxc.F90 b/types/types_xcpot_libxc.F90 index dd3e4f98..d2ffb539 100644 --- a/types/types_xcpot_libxc.F90 +++ b/types/types_xcpot_libxc.F90 @@ -60,10 +60,6 @@ CONTAINS ELSE WRITE(*,*) "No Correlation functional" END IF - - - - PRINT *, "TODO: some info and output on libxc functionals" #else CALL judft_error("You specified a libxc-exchange correlation potential but FLEUR is not linked against libxc",hint="Please recompile FLEUR with libxc support") @@ -167,7 +163,6 @@ CONTAINS exc=exc+excc END IF ENDIF - PRINT *,"EX:",rh(2,:),grad%sigma(:,2),exc(2) #endif END SUBROUTINE xcpot_get_exc @@ -180,6 +175,7 @@ CONTAINS END SUBROUTINE xcpot_alloc_gradients +#ifdef CPP_LIBXC SUBROUTINE priv_write_info(xc_info) IMPLICIT NONE TYPE(xc_f03_func_info_t),INTENT(IN) :: xc_info @@ -221,5 +217,6 @@ CONTAINS WRITE(*, '(a,i1,2a)') '[', i+1, '] ', TRIM(xc_f03_func_reference_get_ref(xc_f03_func_info_get_references(xc_info, i))) END DO END SUBROUTINE priv_write_info +#endif END MODULE m_types_xcpot_libxc -- GitLab