dftbplus / dftd3-lib

Library version of S. Grimmes DFTD3 code.
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Don't forget to create a new release of this after the CMake merge #7

Closed akesandgren closed 2 years ago

akesandgren commented 3 years ago

Please.

aradi commented 3 years ago

No problem, but do you mean a new version number for dftd3-lib or for DFTB+ with the fixed d3lib? Former, I can do easily right now, if you wish. Latter will happen automatically in a few weeks when the autumn release will come out.

akesandgren commented 3 years ago

Both actually.

aradi commented 2 years ago

Done for the library. DFTB+ release will follow in an couple of weeks.