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Compilation without libxc was broken 

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13437 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz 2017-03-27 15:26:16 +00:00
parent 73f163c14c
commit d9e7564240
1 changed files with 3 additions and 1 deletions
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4
Modules/metagga.f90
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@ -1434,6 +1434,7 @@ subroutine tb09cxc(rho, grho, tau, sx, sc, v1x, v2x,v3x,v1c, v2c,v3c)
v2c = v2c*2.0_dp
v3c = v3c*0.5_dp
#else
sx=0.0_dp; sc=0.0_dp; v1x=0.0_dp; v2x=0.0_dp; v3x=0.0_dp; v1c=0.0_dp; v2c=0.0_dp; v3c=0.0_dp
call errore('tb09','need libxc',1)
#endif
end subroutine tb09cxc
@ -1448,8 +1449,8 @@ end subroutine tb09cxc
!======================================================================
subroutine SCANcxc(rho, grho, tau, sx, sc, v1x, v2x, v3x, v1c, v2c, v3c)
USE kinds, ONLY : DP
USE funct, ONLY : libxc_major, libxc_minor, libxc_micro, get_libxc_version
#if defined(__LIBXC)
USE funct, ONLY : libxc_major, libxc_minor, libxc_micro, get_libxc_version
use xc_f90_types_m
use xc_f90_lib_m
#endif
@ -1494,6 +1495,7 @@ subroutine SCANcxc(rho, grho, tau, sx, sc, v1x, v2x, v3x, v1c, v2c, v3c)
v3c = v3c*0.5_dp
#else
sx=0.0_dp; sc=0.0_dp; v1x=0.0_dp; v2x=0.0_dp; v3x=0.0_dp; v1c=0.0_dp; v2c=0.0_dp; v3c=0.0_dp
call errore('SCAN meta-GGA','please, recompile with LibXC trunk (i.e. >3.0.0))',1)
#endif