Tcutility

Latest version: v0.14.5

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0.8.3

Fixing an error related to importing modules

0.8.2

What's Changed
* Fixed an error in setting up calculations with AMS by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/110


**Full Changelog**: https://github.com/TheoChem-VU/TCutility/compare/v0.8.1...v0.8.2

0.8.1

What's Changed
* Added the caller_level argument for some of the logging functions. by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/99
* 92 include spell checking module by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/100
* Added the case of ioprel eq 0 by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/108


**Full Changelog**: https://github.com/TheoChem-VU/TCutility/compare/v0.8.0...v0.8.1

0.8.0

This update brings the new Job-running API and the VDD-analysis module.

What's Changed
* Vdd charge implementation and pathlib rewrite by SiebeLeDe in https://github.com/TheoChem-VU/TCutility/pull/86
* simple job running api by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/89


**Full Changelog**: https://github.com/TheoChem-VU/TCutility/compare/v0.7.2...v0.8.0

0.7.2

This update fixes some bugs where reading of calculation results may end up in an exception.
We also are now reading the nuclear internal energy from ADF calculations.

What's Changed
* 80 return generic info when failing to read calculation by YHordijk in https://github.com/TheoChem-VU/TCutility/pull/82
* added internal energy to adf.properties by SiebeLeDe in https://github.com/TheoChem-VU/TCutility/pull/91


**Full Changelog**: https://github.com/TheoChem-VU/TCutility/compare/v0.7.1...v0.7.2

0.7.1

What's Changed
* Update pyproject.toml by SiebeLeDe in https://github.com/TheoChem-VU/TCutility/pull/83


**Full Changelog**: https://github.com/TheoChem-VU/TCutility/compare/v0.7.0...v0.7.1

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