Commit 7dfccdc9 authored by Matthias Redies's avatar Matthias Redies

try to fix merge

parent 0238c16c
......@@ -28,7 +28,6 @@ MODULE m_types_xcpot
TYPE,ABSTRACT :: t_xcpot
REAL :: gmaxxc
TYPE(t_kinED) :: kinED
TYPE(t_kinED) :: lapl
CONTAINS
PROCEDURE :: vxc_is_LDA => xcpot_vxc_is_LDA
PROCEDURE :: vxc_is_GGA => xcpot_vxc_is_GGA
......
......@@ -85,7 +85,6 @@ CONTAINS
IF(xcpot%kinED%set) THEN
CALL xcpot%get_exc(input%jspins,rho,e_xc(:,1),grad, xcpot%kinED%is, mt_call=.False.)
xcpot%lapl%is = grad%laplace
ELSE
CALL xcpot%get_exc(input%jspins,rho,e_xc(:,1),grad, mt_call=.False.)
ENDIF
......
......@@ -103,7 +103,6 @@
#endif
loc_n = 0
call xcpot%kinED%alloc_mt(nsp*atoms%jmtd,input%jspins, n_start, atoms%ntype, n_stride)
call xcpot%lapl%alloc_mt(nsp*atoms%jmtd,input%jspins, n_start, atoms%ntype, n_stride)
DO n = n_start,atoms%ntype,n_stride
loc_n = loc_n + 1
CALL mt_to_grid(xcpot, input%jspins, atoms,sphhar,den%mt(:,0:,n,:),n,grad,ch)
......@@ -149,7 +148,6 @@
CALL xcpot%get_exc(input%jspins,ch(:nsp*atoms%jri(n),:),&
e_xc(:nsp*atoms%jri(n),1),grad, &
kinED_KS=xcpot%kinED%mt(:,:,loc_n), mt_call=.True.)
xcpot%lapl%mt(:,:,loc_n) = grad%laplace
ELSE
CALL xcpot%get_exc(input%jspins,ch(:nsp*atoms%jri(n),:),&
e_xc(:nsp*atoms%jri(n),1),grad, mt_call=.True.)
......
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