examples:configurations
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examples_configurations [2013/08/16 09:42] – fix s daniel | examples:configurations [2018/01/10 17:29] (current) – daniel | ||
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====== Example : Configuration file ====== | ====== Example : Configuration file ====== | ||
---- | ---- | ||
- | Configuration files can be created very easily with the [[Utilities#vasp2force|vasp2force]] script. | + | Configuration files can be created very easily with the [[utilities:vasp2force|vasp2force]] script. |
===== Single configuration ===== | ===== Single configuration ===== | ||
A simple configuration file with only one atomic configuration: | A simple configuration file with only one atomic configuration: | ||
- | < | + | < |
#N 4 1 | #N 4 1 | ||
#C Al | #C Al | ||
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A configuration file containing two atomic configurations: | A configuration file containing two atomic configurations: | ||
- | < | + | < |
#N 4 1 | #N 4 1 | ||
#C Al | #C Al | ||
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===== Many configurations ===== | ===== Many configurations ===== | ||
- | All steps from an ab-initio relaxation run: {{config.MD}} | + | All steps from an ab-initio relaxation run: {{:config.md}} |
---- | ---- | ||
- | Very basic example for a potfit run with analytic potentials: {{example_al.tar.gz}} | + | Very basic example for a potfit run with analytic potentials: {{:example_al.tar.gz}} |
examples/configurations.1376638962.txt.gz · Last modified: 2013/08/16 09:42 (external edit)