57 Commits

Author SHA1 Message Date
69a92a3e00 apply some codeql recommendations
- remove unused imports
- avoid overlaps of variable names with keywords
- make some exception processing more explicit
2021-05-09 19:52:31 -04:00
644b61cd1f Add __dir__() to Atom class 2021-03-16 14:21:19 -04:00
a8597de4be Add __dir__() to variable_set 2021-03-16 14:04:24 -04:00
f467832e0f Make PyLammps command history feature optional
PyLammps so far has been saving a history for every executed command.  This was
originally added to allow writing out the commands of interactive PyLammps
sessions as regular input scripts.

This commit disables this history by default, which avoids the small, but
rising memory consumption over time. It can be enabled and disabled with the
enable_cmd_history property. There is also now a method to clear the history
at any time.
2021-02-22 01:29:50 -05:00
6e43ccf32b Fixed bug in get_thermo_data where columns is set to None instead of an empty list 2021-01-27 19:41:24 -05:00
9e188a3818 Clean up imports 2020-12-15 16:19:23 -05:00
b390c1e3d3 Split lammps.py into core.py and pylammps.py 2020-12-15 16:15:16 -05:00