pizza
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lammps
Pizza.py is a loosely integrated collection of tools written in Python, many of which provide pre- and post-processing capability for the LAMMPS molecular dynamics package.
**Summary** In this PR, I have: * Used GitHub's native `.md` format for the README * Updated dead links **Related Issue(s)** None **Author(s)** [Richard Wyman](mailto:[email protected]) - Previous BYU affiliation, not...
Pizza always cannot recognize the data file with the line 'Atoms # full'. Here I add a split with the line to compare with the 'skewords'. **Summary** **Related Issue(s)** **Author(s)**...
**Summary** Various changes to modernize Pizza and make it into a real Python package. Also add a first set of unittests. **Related Issue(s)** **Author(s)** Richard Berger (Temple U) @rbberger **Licensing**...
As can be [seen here](https://pypi.org/project/Pillow/2.1.0/) PIL does not seem to be easily obtainable nor in use. `Pillow` can be obtained by a simple `pip install`.
compute the distribution of dihedral angles similar to bond and angle scripts. The dihedral angle is signed i.e. ranging from -180 to 180 degrees
In the bond_distribute.py and angle_distribute.py files there is a missing import statement: "from data import data"" Both scripts make use of the data.py (lines 28 and 26 respectively) without importing...