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gaussian_parser

v0.0.1RubyGems· Ruby

Gaussian (http://gaussian.com/) is one of the most popular general purpose computational chemistry software packages. The output genearated by it contains a lot of data which should be structured properly before evaluation. The purpose of the Gaussian Parser is to perform routine operations for better and faster log data processing. Currently it's able to parse the output file and process the data for - Distance matrix - Molecular Orbital Coefficients - Harmonic frequencies

The verdict
Abandoned. Last published 7 years ago. No recent activity — look for a maintained alternative.
No recent activity — look for a maintained alternative.
Live from the RubyGems registry · derived rules, not AI
How it scores
MaintenanceAbandoned
PopularityNiche
SecurityClean
LicenseUnknown
DepsZero deps
Maintenance
Last published 7 years ago.
Popularity
6 downloads / week
Security
No known advisories for this version (OSV).
License
No license declared.
Dependencies
No runtime dependencies
Recent releases
  • 0.0.17 years ago
gaussian_parser — Gaussian (http://gaussian.com/) is one of the most popular general purpose computational chemistry software packages. The output genearated by it contains a lot of data which should be structured properly before evaluation. The purpose of the Gaussian Parser is to perform routine operations for better and faster log data processing. Currently it's able to parse the output file and process the data for - Distance matrix - Molecular Orbital Coefficients - Harmonic frequencies (Ruby / RubyGems) · Modules