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diff -Naur tmp-old/src/56_xc/m_libxc_functionals.F90 tmp-new/src/56_xc/m_libxc_functionals.F90
--- src/56_xc/m_libxc_functionals.F90 2010-04-02 18:35:00.000000000 +0000
+++ src/56_xc/m_libxc_functionals.F90 2010-04-07 15:06:14.000000000 +0000
@@ -363,14 +363,14 @@
if (funcs(i)%id == 0) cycle
!Get the potential (and possibly the energy)
- if (iand(xc_f90_info_provides(funcs(i)%info), XC_PROVIDES_EXC) .ne. 0) then
+ if (iand(xc_f90_info_flags(funcs(i)%info), XC_FLAGS_HAVE_EXC) .ne. 0) then
select case (funcs(i)%family)
case (XC_FAMILY_LDA)
call xc_f90_lda_exc_vxc(funcs(i)%conf,1,rhotmp(1),exctmp,vxctmp(1))
case (XC_FAMILY_GGA)
call xc_f90_gga_exc_vxc(funcs(i)%conf,1,rhotmp(1),sigma(1),exctmp,vxctmp(1),vsigma(1))
case (XC_FAMILY_MGGA)
- call xc_f90_mgga_exc_vxc(funcs(i)%conf,rhotmp(1),sigma(1),lrhotmp(1),&
+ call xc_f90_mgga_exc_vxc(funcs(i)%conf,1,rhotmp(1),sigma(1),lrhotmp(1),&
tautmp(1),exctmp,vxctmp(1),vsigma(1),vxclrhotmp(1),vxctautmp(1))
! write(message, '(7a)' )ch10,&
! & ' libxc_functionals_init : ERROR -',ch10,&
@@ -388,7 +388,7 @@
case (XC_FAMILY_GGA)
call xc_f90_gga_vxc(funcs(i)%conf,1,rhotmp(1),sigma(1),vxctmp(1),vsigma(1))
case (XC_FAMILY_MGGA)
- call xc_f90_mgga_vxc(funcs(i)%conf,rhotmp(1),sigma(1),lrhotmp(1),&
+ call xc_f90_mgga_vxc(funcs(i)%conf,1,rhotmp(1),sigma(1),lrhotmp(1),&
tautmp(1),vxctmp(1),vsigma(1),vxclrhotmp(1),vxctautmp(1))
end select
end if
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