Published March 1, 2020
| Version 0.10.0
Software
Open
QMflows
Description
What's Changed
- MAINT: Update
masterbranch after release (0.11.0) by @BvB93 in https://github.com/SCM-NV/qmflows/pull/276 - TST: Add CP2K 9.1 tests by @BvB93 in https://github.com/SCM-NV/qmflows/pull/277
- ENH: Add a frequency analysis template for CP2K by @BvB93 in https://github.com/SCM-NV/qmflows/pull/278
- ENH: Add
Result.__dir__by @BvB93 in https://github.com/SCM-NV/qmflows/pull/279 - ENH: Add the generic
basisandpotentialkeys for CP2K by @BvB93 in https://github.com/SCM-NV/qmflows/pull/280 - TST: Print the CP2K .out and .err files whenever a test job crashes by @BvB93 in https://github.com/SCM-NV/qmflows/pull/281
Full Changelog: https://github.com/SCM-NV/qmflows/compare/0.11.0...0.11.1
Notes
If you use this software, please cite it as below.
Files
SCM-NV/qmflows-0.11.1.zip
Files
(15.2 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:2a7ece268cb7fd19274c1162803571cb
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15.2 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/SCM-NV/qmflows/tree/0.11.1 (URL)