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CHANGE.log
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CHANGE.log
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3DStructGen 1.0.8, 2019-11-26
-add help document and some examples
3DStructGen 1.0.7, 2019-11-13
- fix the bug of reading ICSD files containing '\r' character.
3DStructGen 1.0.6, 2019-10-18
- add spglib API for identifying space-group type and searching irreducible k-points
3DStructGen 1.0.5, 2019-09-30
- add ChemTik API for geometry optimization by using UFF force filed method.
3DStructGen 1.0.1, 2019-09-17
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- fix some bugs for the buttons of OABC, clear canvas and background color;
- fix a bug for Gaussian interface for missing atom coordinates in Gaussian.gif
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3DStructGen 1.0.0, 2019-09-17
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- Initial beta release