Commit 8ef469c9 authored by eric pellegrini's avatar eric pellegrini
Browse files

Changed the default unit for mass density to g/cm3

parent 51b9b2b1
......@@ -71,7 +71,7 @@ class Density(IJob):
self._outputData.add("mass_density","line", (self._nFrames,), units='g/cm3')
self._outputData.add("atomic_density","line", (self._nFrames,), units='1/nm3')
self._outputData.add("atomic_density","line", (self._nFrames,), units='1/cm3')
if not self.configuration['trajectory']['instance'].universe.is_periodic:
raise JobError("Pair distribution function cannot be calculated for infinite universe trajectories")
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment