Commits e379430: Fix for CalcUS using ccinput + convenient synonyms (Raphaël Robidas) 850320f: Prevented the input and output files from being saved in presets (Raphaël Robidas) 51a645f: Added more tests for presets (Raphaël Robidas) ea34a50: Specifications are appended to preset specifications instead of replacing them (Raphaël Robidas
Commits 6aa441e: Fixed installation dependencies and exception f-string (Raphaël Robidas) 01e3d6f: ...
Commits 3904b0e: Adopted the Black code style (Raphaël Robidas) 5260150: Added automated Black lint...
Commits 984e085: Updated the documentation (Raphaël Robidas) 0e3124b: Fixed the 'default' solvation...
Commits b116647: Improved/fixed functional data (Raphaël Robidas) 99b4ca3: Replaced explicit custom...
Commits 37728f1: Added tests to ensure that specifications are passed to all input files (Raphaël R...
Commits 669f0f3: Updated the documentation (Raphaël Robidas) bcdd713: Minor improvements to basis s...
Commits 892fe7a: Fixed xtb command creation when using only raw xyz (Raphaël Robidas) 1373121: Adde...
Commits 8685cd0: Removed the dash symbol and parentheses from absolute basis sets (Raphaël Robidas)...
Commits b0a36ac: Added new issue template (Raphaël Robidas) 20fe8c3: Added a skeleton for NWChem su...
Commits 17aaf5f: Improve the automated Github release process (Raphaël Robidas) cc0a1ee: Added TDA ...
Commits 617df1e: Fixed constrained CREST calculation with no file name (Raphaël Robidas) 0e9811e: M...
Commits d711598: Added 'auto' as initial constraint value to use the current value (Raphaël Robidas...
Commits f3d495f: Updated the options in the README (Raphaël Robidas) 413d335: Initial Q-Chem input ...
Commits 25ecdc4: Fixed bug where spaces in custom basis set specifications would lead them to be ig...
Commits d775d99: Code style standardization (Lint Action) 7df0cee: Bumped linting action (Raphaël R...
Commits 6aa441e: Fixed installation dependencies and exception f-string (Raphaël Robidas) 01e3d6f: ...
Commits 3904b0e: Adopted the Black code style (Raphaël Robidas) 5260150: Added automated Black lint...
Commits 984e085: Updated the documentation (Raphaël Robidas) 0e3124b: Fixed the 'default' solvation...
Commits b116647: Improved/fixed functional data (Raphaël Robidas) 99b4ca3: Replaced explicit custom...
Commits 37728f1: Added tests to ensure that specifications are passed to all input files (Raphaël R...
Commits 669f0f3: Updated the documentation (Raphaël Robidas) bcdd713: Minor improvements to basis s...
Commits 892fe7a: Fixed xtb command creation when using only raw xyz (Raphaël Robidas) 1373121: Adde...
Commits 8685cd0: Removed the dash symbol and parentheses from absolute basis sets (Raphaël Robidas)...
Commits b0a36ac: Added new issue template (Raphaël Robidas) 20fe8c3: Added a skeleton for NWChem su...
Commits 17aaf5f: Improve the automated Github release process (Raphaël Robidas) cc0a1ee: Added TDA ...
Commits 617df1e: Fixed constrained CREST calculation with no file name (Raphaël Robidas) 0e9811e: M...
Commits d711598: Added 'auto' as initial constraint value to use the current value (Raphaël Robidas...
Commits f3d495f: Updated the options in the README (Raphaël Robidas) 413d335: Initial Q-Chem input ...
Commits 25ecdc4: Fixed bug where spaces in custom basis set specifications would lead them to be ig...
Commits d775d99: Code style standardization (Lint Action) 7df0cee: Bumped linting action (Raphaël R...
Commits 6aa441e: Fixed installation dependencies and exception f-string (Raphaël Robidas) 01e3d6f: ...
Commits 3904b0e: Adopted the Black code style (Raphaël Robidas) 5260150: Added automated Black lint...
Commits 984e085: Updated the documentation (Raphaël Robidas) 0e3124b: Fixed the 'default' solvation...
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