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@edan-bainglass edan-bainglass released this 06 Jul 13:03
· 88 commits to master since this release
v3.0
dc3a6ce

New in version 3.0:

  • new ms-gcs functionality
  • new field-aware ionic boundary feature
  • new Environ API for use by host programs (see Environ read-the-docs for API documentation)
  • new stand-alone programs (running Environ from cube file, computing Environ descriptors)
  • support for negative surface tension
  • added optional volume/surface output
  • further decoupling from QE (new install procedures)
  • FFTXlib and UtilXlib updated to QE 7.0
  • improved performance of ionic boundary calculations
  • improved feature-dependent citations
  • updated testcode to Python3

Problems fixed in version 3.0:

  • restored QE XSpectra support

Incompatible changes in version 3.0:

  • QE decoupling changes no longer support old install procedure
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