Dev #59
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Dev #59
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* There was an issue saving the pressure and volume as properties due to a mismatch in the names used. This has been corrected. * Improved how the code determines the number of processors to use for parallel runs, giving salience to the numer of atoms in the system, but limiting to the LAMMPS and global limits on numbers of cores as well as the hardware available.
* There was an issue saving the pressure and volume as properties due to a mismatch in the names used. This has been corrected. * Improved how the code determines the number of processors to use for parallel runs, giving salience to the numer of atoms in the system, but limiting to the LAMMPS and global limits on numbers of cores as well as the hardware available.
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Bugfix and improvements for parallel runs