Published June 20, 2022
| Version 22.0.2
Software
Open
MOPAC
Description
This is a bug-fix patch release that addresses all recently reported bugs except for Issue #40, which is more of a disparity between the MOPAC software and manual rather than a strict bug.
What's Changed- Fix Linux installer (missing OpenMP library) by @godotalgorithm in https://github.com/openmopac/mopac/pull/46
- May JJPS updates by @godotalgorithm in https://github.com/openmopac/mopac/pull/49
- Fix ++ behavior in GEO_REF files by @godotalgorithm in https://github.com/openmopac/mopac/pull/50
- Remove conventional COSMO size limiter by @godotalgorithm in https://github.com/openmopac/mopac/pull/51
- Detect python instead of using hardcoded value for python executable by @susilehtola in https://github.com/openmopac/mopac/pull/53
- Reactivate THREADS keyword by @godotalgorithm in https://github.com/openmopac/mopac/pull/55
- TS bug fix by @godotalgorithm in https://github.com/openmopac/mopac/pull/56
- TS bug fix (round 2) by @godotalgorithm in https://github.com/openmopac/mopac/pull/57
- Simplifications to testing code by @susilehtola in https://github.com/openmopac/mopac/pull/58
- Tests weren't actually being run by @susilehtola in https://github.com/openmopac/mopac/pull/59
- Cleaner tests by @godotalgorithm in https://github.com/openmopac/mopac/pull/61
- Fix control-flow bug in LOCATE-TS by @godotalgorithm in https://github.com/openmopac/mopac/pull/62
Full Changelog: https://github.com/openmopac/mopac/compare/v22.0.1...v22.0.2
Notes
If you use this software for a scientific publication, please cite it as below.
Files
openmopac/mopac-v22.0.2.zip
Files
(27.1 MB)
| Name | Size | Download all |
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md5:2fe91ed87447589ea569e4622b097cbf
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27.1 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/openmopac/mopac/tree/v22.0.2 (URL)