Tcutility

Latest version: v0.14.5

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0.14.5

What's Changed
* Fixed an issue that was causing crashes when running jobs by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/315


**Full Changelog**: https://github.com/TheoChem-VU/TCutility/compare/v0.14.4...v0.14.5

0.14.4

What's Changed
* Added option to perform electrostatic potential energy decomposition for `ADFFragmentJob` by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/310
* Added an option to not use slurm when starting jobs by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/290


**Full Changelog**: https://github.com/TheoChem-VU/TCutility/compare/v0.14.3...v0.14.4

0.14.3

What's Changed
* Fixed a `timer` runtimewarning that occurs when a function was not called by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/307
* `pathfunc` is now importable from `tcutility` directly by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/309


**Full Changelog**: https://github.com/TheoChem-VU/TCutility/compare/v0.14.2...v0.14.3

0.14.2

What's Changed
* Added `listfunc` to the required libraries by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/305


**Full Changelog**: https://github.com/TheoChem-VU/TCutility/compare/v0.14.1...v0.14.2

0.14.1

What's Changed
* Added missing `_char_widths.txt` to MANIFEST by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/303


**Full Changelog**: https://github.com/TheoChem-VU/TCutility/compare/v0.14.0...v0.14.1

0.14.0

What's Changed
* Citation page-ranges now use the correct dash by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/260
* Fixed an issue with wrongly named input file in ORCAJob call when not using temporary directories by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/267
* Asterisk can now used as radical dots when formatting molecular formulas by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/262
* Added the reflection operator and RMSD calculations including reflection by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/265
* Added energy.orbint.correction by ToriGijzen in https://github.com/TheoChem-VU/TCutility/pull/250
* Added missing characters in `report.character` by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/282
* Fixed an issue where the `report.character` module was not importable by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/285
* Fixed an issue where reading ORCA calculations would crash the program by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/286
* Python API for IRC concatenation by SiebeLeDe in https://github.com/TheoChem-VU/TCutility/pull/274
* Added dummy atom data to `tcutility.data.atoms` by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/292
* Made improvements to the `tcutility.geometry.Transform` classes by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/296
* Improvements related to `DensfJob` by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/297


**Full Changelog**: https://github.com/TheoChem-VU/TCutility/compare/v0.13.3...v0.14.0

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