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1.2.2

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@rsdefever rsdefever released this 26 Mar 16:49
· 130 commits to master since this release
v1.2.2
2db0c81
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Learn about vigilant mode.

Patch release with the following:

  • Adds support for Python3 in auxiliary scripts
  • Adds support for longer atom name (20 chars) and element name (6 chars)
  • Checks that actual bond lengths match fixed bond lengths specified in MCF file
  • Clarifies and extends available thermo property output options
  • Adds python based test suite
  • Adds ability to use a non-cubic box in NPT GEMC if the max volume move size is zero.
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