On the algorithm to perform Monte Carlo simulations in cells with constant volume and variable shape
In simulations of crystals, unlike liquids or gases, it may happen that the properties of the studied system depend not only on the volume of the simulation cell but also on its shape. For such cases it is desirable to change the shape of the box on the fly in the course of the simulation as it may...
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| Format: | Article |
| Language: | English |
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Institute for Condensed Matter Physics
2022-09-01
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| Series: | Condensed Matter Physics |
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| Online Access: | https://doi.org/10.5488/CMP.25.33201 |