pyascec
This code explores the potential energy surface of atomic and molecular clusters using a modified Metropolis criterion and Markov chain. This Python implementation makes the workflow easier and more …
Installation
In a virtualenv (see these instructions if you need to create one):
pip3 install pyascec
Dependencies
Releases
| Version | Released | Bullseye Python 3.9 |
Bookworm Python 3.11 |
Trixie Python 3.13 |
Files |
|---|---|---|---|---|---|
| 3.0.4 | 2025-12-26 | ||||
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