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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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安装:
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版本列表:

  1. 0.0.1 September 08, 2018 (30.0 KB)

Runtime 依赖 (1):

colorize ~> 0.8.1

Development 依赖 (3):

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

所有者:

作者:

  • Paul I

SHA 256 校验和:

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这个版本 2,207

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需要的 Ruby 版本: >= 0

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