forked from plumed/plumed2
/
lammps-6Apr13.config
36 lines (27 loc) · 1.07 KB
/
lammps-6Apr13.config
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function plumed_preliminary_test(){
# check if the README contains the word LAMMPS
grep -q LAMMPS README 1>/dev/null 2>/dev/null
}
function plumed_before_patch(){
mkdir src/USER-PLUMED
test -d $otherfiles/ && cp $otherfiles/* src/USER-PLUMED/
}
function plumed_after_revert(){
rm -fr src/USER-PLUMED/
}
function plumed_patch_info(){
cat << EOF
PLUMED can be incorporated into LAMMPS using a simple patching procedure.
Patching must be done _before_ LAMMPS is configured.
After patching, one should enable PLUMED using the command
make yes-user-plumed
In the same way, before reverting one should disable PLUMED using the command
make no-user-plumed
Also notice that command "fix plumed" should be used in lammps input
file *after* the relevant input parameters have been set (e.g. after "timestep" command)
See also http://lammps.sandia.gov/doc/Section_commands.html for
further info on processing LAMMPS input, as well as
this discussion on github: http://github.com/plumed/plumed2/issues/67.
For more information on LAMMPS you should visit http://lammps.sandia.gov/
EOF
}