jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity

Merge branch 'master' of https://github.com/albapa/lammps into small-changes 

USER-QUIP related improvements from github user albapa. This closes #198
This commit is contained in:
Axel Kohlmeyer 2016-10-06 09:32:50 -04:00
parent f9f955d5b5 8ea063378e
commit d133167bf6
3 changed files with 3 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

1
examples/USER/quip/in.gap
View File

@ -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

1
examples/USER/quip/in.sw
View File

@ -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

4
lib/quip/Makefile.lammps
View File

@ -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}