Published August 26, 2024
| Version 3.0.0
Software
Open
qcscine/molassembler: Release 3.0.0
Creators
- 1. Department of Chemistry and Applied Biosciences, ETH Zurich
Description
Changes:
- Add overload to editing::substitute to specify which sides are substituted
- Add BondDiscretizationOption::RoundToNearest to IO::split to be consistent with IO::read
Files
qcscine/molassembler-3.0.0.zip
Files
(3.7 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:474c88cc130a568b68211cbc3670e4c7
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3.7 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Software: https://github.com/qcscine/molassembler/tree/3.0.0 (URL)