From fd16118cbb2260ee93ca70a4daca0c6533534ab3 Mon Sep 17 00:00:00 2001 From: A Bartok-Partay Date: Thu, 6 Oct 2016 12:02:41 +0100 Subject: [PATCH 1/2] removed dump_modify command --- examples/USER/quip/in.gap | 1 - examples/USER/quip/in.sw | 1 - 2 files changed, 2 deletions(-) diff --git a/examples/USER/quip/in.gap b/examples/USER/quip/in.gap index 8e3c3d701b..37667e39b9 100644 --- a/examples/USER/quip/in.gap +++ b/examples/USER/quip/in.gap @@ -18,6 +18,5 @@ thermo 10 timestep 0.001 dump 1 all custom 10 dump.gap id fx fy fz -dump_modify 1 format "%d %20.15g %20.15g %20.15g" run 40 diff --git a/examples/USER/quip/in.sw b/examples/USER/quip/in.sw index a3c1df704c..c1367ac805 100644 --- a/examples/USER/quip/in.sw +++ b/examples/USER/quip/in.sw @@ -18,6 +18,5 @@ thermo 10 timestep 0.001 dump 1 all custom 10 dump.sw id fx fy fz -dump_modify 1 format "%d %20.15g %20.15g %20.15g" run 1 From 8ea063378eaca2e472a9f631ceb9add5aba9e847 Mon Sep 17 00:00:00 2001 From: A Bartok-Partay Date: Thu, 6 Oct 2016 12:15:48 +0100 Subject: [PATCH 2/2] add NETCDF libs (as defined in QUIP) to the linking line if QUIP was built with NETCDF support --- lib/quip/Makefile.lammps | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/lib/quip/Makefile.lammps b/lib/quip/Makefile.lammps index 10c0fd6bde..19ff20b073 100644 --- a/lib/quip/Makefile.lammps +++ b/lib/quip/Makefile.lammps @@ -13,8 +13,10 @@ $(error Environment variable QUIP_ARCH must be set.) endif include ${QUIP_ROOT}/build/${QUIP_ARCH}/Makefile.inc +include ${QUIP_ROOT}/Makefile.rules quip_SYSLIB = -lquip +quip_SYSLIB += ${NETCDF_SYSLIBS} quip_SYSLIB += ${MATH_LINKOPTS} ifeq (${F95},gfortran) @@ -25,4 +27,4 @@ else $(error fortran compiler >>${F95}<< not recognised. Edit lib/quip/Makefile.lammps to specify the fortran library your linker should link to) endif -quip_SYSPATH = -L${QUIP_ROOT}/build/${QUIP_ARCH} -L${QUIP_ROOT}/src/FoX-4.0.3/objs.${QUIP_ARCH}/lib +quip_SYSPATH = -L${QUIP_ROOT}/build/${QUIP_ARCH}