Published August 10, 2017
| Version 1.0.2
Software
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bobbypaton/GoodVibes: GoodVibes v1.0.2
Description
Updates:
- More pythonic
- Automatically detects level of theory and applies scaling-factor from Truhlar's database
- Fixed monoatomic species
- Supports linked jobs containing single point energies
- GoodVibes.py -h now prints out all available options
- Minor fixes to output formatting
Files
bobbypaton/GoodVibes-1.0.2.zip
Files
(469.9 kB)
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Additional details
Related works
- Is supplement to
- https://github.com/bobbypaton/GoodVibes/tree/1.0.2 (URL)