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Fortran

dftbplus

DFTB+ general package for performing fast atomistic simulations

FortranEmerging

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8

Last push

16mo ago

Recent commits

Latest commits.

Block CH3 legacy test from MPI use
dc5e2d4Ben Hourahine16mo ago
Parser test for default blank CI optimiser
5127891Ben Hourahine17mo ago
Switch the default HFX algo Thresholded -> MatrixBased
5181843Tammo van der Heide16mo ago
Error msg for missing TD diagonaliser
1276115Ben Hourahine17mo ago
Moved test out of legacy unittests system
e1872f0Ben Hourahine16mo ago

Revise the automatically determined TCI damping radius (#1640)

47828d0Tammo van der Heide16mo ago

Remove some older compiler workarounds

cb63e18Ben Hourahine17mo ago

Base unit tests on Fortuno and rename unit test folder

62ad90fBálint Aradi22mo ago

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