Closed venkatkapil24 closed 6 years ago
The following triggers automatic backup. Don't know if this has been discussed before but i-pi should at least trigger a warning if not an error.
<output prefix="simulation"> <properties stride="8" filename="out"> [ step, time{picosecond}, conserved, temperature{kelvin}, kinetic_cv, potential, pressure_cv{atmosphere} ] </properties> <trajectory filename="pos" stride="8"> velocities </trajectory> <trajectory filename="pos" stride="80"> positions </trajectory> <checkpoint filename="chk" stride="8000" overwrite="true"/> </output>
The following triggers automatic backup. Don't know if this has been discussed before but i-pi should at least trigger a warning if not an error.