From d9e75642406a4fbff09a5f74394cc282cd5e6a9c Mon Sep 17 00:00:00 2001 From: giannozz Date: Mon, 27 Mar 2017 15:26:16 +0000 Subject: [PATCH] Compilation without libxc was broken git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13437 c92efa57-630b-4861-b058-cf58834340f0 --- Modules/metagga.f90 | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/Modules/metagga.f90 b/Modules/metagga.f90 index f00e1a3c0..f5c8a9965 100644 --- a/Modules/metagga.f90 +++ b/Modules/metagga.f90 @@ -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