rmc_util
rmc_util is a Python library for preparing RMC_POT input files, converting atomic configurations, and reading and analyzing simulation results.
It provides modules for simulation parameters (.dat), atomic configurations (.cfg), structural constraints, fitting results, histories, and partial pair correlation functions.
Installation
Run from the repository root:
pip install .
Modules
| Area | Modules |
|---|---|
| RMC_POT operations | rmc_pot |
| Parameter files | rmc_pot_dat, rmc_pot_dat_fixed, rmc_pot_dat_free |
| Constraints and topology | rmc_pot_dat_fnc, rmc_pot_dat_top, rmc_pot_snc |
| Results and analysis | rmc_pot_fit, rmc_pot_hst, rmc_pot_log, rmc_pot_ppcf |
| Conversions and utilities | util |
Documentation
See the documentation home for RMC concepts, input and output formats, structural constraints, and the Python API. Build HTML with docs/build.sh.
Reference
Orsolya Gereben, RMC_POT user guide for version 2023.1 (2023).
1 maintainer
Metadata
1 maintainer
Release files for rmc-util 0.0.0
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Source distribution (sdist)
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| rmc_util-0.0.0.tar.gz | 98.4 kB | Details |
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| rmc_util-0.0.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 207.4 kB
Release files / rmc_util-0.0.0.tar.gz
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