ICAR Research Data Repository for Knowledge Management
Hybrid Reverse Monte Carlo (HRMC)
CSIRO RDS Repository
View Archive Info| Field | Value | |
| Title |
Hybrid Reverse Monte Carlo (HRMC)
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| Creator |
George Opletal
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| Subject |
Condensed Matter Physics not elsewhere classified
Simulation and Modelling |
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| Description |
A program for generating atomistic models in real space by a combination of empirical potential energy minimization and the fitting of experimentally motivated constraints. Suitable inputs include experimental data such as diffraction data (structure factor and radial distribution functions) and computational data (bond angle, bond length, coordination distributions). Output is a model in Cartesian coordinates in xyz format that can be visualized in standard visualization packages. A manual and tutorial are provided.
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| Publisher |
CSIRO
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| Date |
2017-10-09
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| Type |
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| Format |
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| Identifier |
csiro:24232
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| Language |
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| Coverage |
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