diff options
Diffstat (limited to 'sci-physics/abinit/files/6.0.3-libxc-flags.patch')
| -rw-r--r-- | sci-physics/abinit/files/6.0.3-libxc-flags.patch | 29 |
1 files changed, 0 insertions, 29 deletions
diff --git a/sci-physics/abinit/files/6.0.3-libxc-flags.patch b/sci-physics/abinit/files/6.0.3-libxc-flags.patch deleted file mode 100644 index d93642fd5..000000000 --- a/sci-physics/abinit/files/6.0.3-libxc-flags.patch +++ /dev/null @@ -1,29 +0,0 @@ -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 |