8000 Commits · aradi/dftd4 · GitHub

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Commits

Commits on Jun 14, 2021

Workaround ICE in GCC10 and make C-API build optional (#108)
awvwgk
authored

Commits on May 27, 2021

Add support for CMake build system (#105)
awvwgk
authored

Commits on May 26, 2021

Fix markdown and relative links on github.io page (#104)
e-kwsm
authored

Commits on May 25, 2021

Increase required meson version in documentation (#103)
awvwgk
authored

Commits on May 14, 2021

Fix a typo
awvwgk
committed

Commits on May 10, 2021

Allow selection of reference charges (#100)
awvwgk
authored

Commits on May 7, 2021

Use np.ascontiguousarray instead of np.array (#99)
awvwgk
authored

Commits on May 3, 2021

Allow to add DFTD4 to other ASE calculators (#97)
awvwgk
authored

Commits on May 2, 2021

Commits on Apr 22, 2021

Fix markup for installation instructions of Python API
awvwgk
authored

Commits on Apr 21, 2021

Update dependencies
awvwgk
committed

Commits on Mar 26, 2021

Update of QCSchema interface and new parameter data file access (#90)
awvwgk
authored

Commits on Mar 25, 2021

Commits on Mar 19, 2021

Commits on Mar 10, 2021

Commits on Mar 9, 2021

Handle ghost atoms in qcschema (#80)
loriab
authored

Commits on Mar 1, 2021

Release version 3.1.0 (#79)
awvwgk
authored

Commits on Feb 28, 2021

Commits on Feb 27, 2021

Update READMEs
awvwgk
committed

Commits on Feb 26, 2021

Commits on Feb 25, 2021

Fix module URL in FORD documentation (#69)
e-kwsm
authored

Commits on Jan 4, 2021

Commits on Dec 22, 2020

Add D4 parameters for rSCAN and r²SCAN from arXiv:2012.09249 (#61)
awvwgk
authored

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