Peacemaker2: Making clusters talk about binary mixtures and neat liquids
We present an updated version of Peacemaker, a software package for performing neat and binary Quantum Cluster Equilibrium (QCE, bQCE) calculations. Peacemaker2 has been rewritten from scratch and is fast, robust, parallelized, and well-documented. Apart from sketching the implementation and introdu...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2018-01-01
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| Series: | SoftwareX |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2352711018301845 |