table of contents
| GAUSSIAN_ANALYZER(1) | User Commands | GAUSSIAN_ANALYZER(1) |
NAME¶
gaussian_analyzer - pymatgen
DESCRIPTION¶
usage: gaussian_analyzer [-h] [-v] [-f] [dir ...]
Convenient Gaussian run analyzer which can recursively go into a directory to search results. Author: Shyue Ping Ong Version: 1.0 Last updated: Jul 6 2012
positional arguments:¶
- dir
- directory to process
optional arguments:¶
- -h, --help
- show this help message and exit
- -v, --verbose
- Verbose mode. Provides detailed output on progress.
- -f, --force
- Force reanalysis, instead of reusing gaussian_analyzer_data.gz.
| December 2020 | pymatgen |