10000 Commits · MtoLStoN/mctc-lib · GitHub

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Commits

Commits on Dec 4, 2023

Remove code line duplication.
MtoLStoN
committed

Commits on Dec 1, 2023

Commits on Mar 7, 2023

Commits on Aug 5, 2022

Added support for Maestro .mol files. (#56)
MtoLStoN
authored

Commits on Aug 3, 2022

Remove compiler ID from include directrory (#55)
yurivict
authored

Commits on Aug 2, 2022

Commits on Aug 1, 2022

Commits on Jul 26, 2022

Support chemical JSON (#50)
awvwgk
authored

Commits on May 24, 2022

Update install-mod.py (#46)
kjelljorner
authored

Commits on May 23, 2022

replace deprecated `make_directory` with `file(MAKE_DIRECTORY)` (#45)
e-kwsm
authored

Commits on May 17, 2022

Fix module install subdirectory functionality (#44)
ajmay81
authored

Commits on May 7, 2022

Allow building with Intel-CL (#43)
awvwgk
authored

Commits on Apr 20, 2022

Commits on Apr 14, 2022

Only write groups in Turbomole output if necessary (#41)
awvwgk
authored

Commits on Apr 13, 2022

Bump version to 0.3.0 (#40)
awvwgk
authored

Commits on Apr 5, 2022

Allow reading of dot-files from input file directory (#39)
awvwgk
authored

Commits on Feb 27, 2022

Commits on Feb 26, 2022

Commits on Feb 8, 2022

Correctly update chain number when changing to another chain (#33)
awvwgk
authored

Commits on Feb 2, 2022

Implement support for helical boundary conditions in gen format (#30)
awvwgk
authored

Commits on Feb 1, 2022

Additional error handling for ctfiles in non-V2000 format (#31)
awvwgk
authored

Commits on Jan 26, 2022

Make parallelization of testsuite optional (#29)
awvwgk
authored

Commits on Jan 21, 2022

Improve error reporting for readers (#28)
awvwgk
authored

Commits on Jan 19, 2022

Support FHI-aims geometry.in format (#27)
awvwgk
authored

Commits on Jan 16, 2022

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