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gaussian_parser 0.0.1

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

Gemfile:
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安裝:
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版本列表:

  1. 0.0.1 September 08, 2018 (30.0 KB)

Runtime 相依性套件 (1):

colorize ~> 0.8.1

Development 相依性套件 (3):

bundler ~> 1.16
rake ~> 10.0
rspec ~> 3.0

擁有者:

作者:

  • Paul I

SHA 256 總和檢查碼:

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總下載次數 2,209

這個版本 2,209

版本发布:

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Ruby 版本需求: >= 0

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