ComputationalQM-Scripts | graduate work at Loyola University Chicago

by jborden Perl Version: Current License: GPL-2.0

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kandi X-RAY | ComputationalQM-Scripts Summary

ComputationalQM-Scripts is a Perl library. ComputationalQM-Scripts has no bugs, it has no vulnerabilities, it has a Strong Copyleft License and it has low support. You can download it from GitHub.

During my graduate work at Loyola University Chicago under the supervision of Dr. Jan Florian, I used the well-known Gaussian suite of QM computational chemistry programs along with ChemSol for the calculation of Langevin Dipoles solvation free energies. This project contains a set of utilities that I wrote for the submission and extraction of data during my dissertation project. These scripts can be used to produce Gnuplot output such as this:.

Support

Quality

Security

License

Reuse

Support

ComputationalQM-Scripts has a low active ecosystem.

It has 2 star(s) with 0 fork(s). There are 2 watchers for this library.

It had no major release in the last 6 months.

ComputationalQM-Scripts has no issues reported. There are no pull requests.

It has a neutral sentiment in the developer community.

The latest version of ComputationalQM-Scripts is current.

Quality

ComputationalQM-Scripts has no bugs reported.

Security

ComputationalQM-Scripts has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.

License

ComputationalQM-Scripts is licensed under the GPL-2.0 License. This license is Strong Copyleft.

Strong Copyleft licenses enforce sharing, and you can use them when creating open source projects.

Reuse

ComputationalQM-Scripts releases are not available. You will need to build from source code and install.

Installation instructions are not available. Examples and code snippets are available.

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ComputationalQM-Scripts Key Features

No Key Features are available at this moment for ComputationalQM-Scripts.

ComputationalQM-Scripts Examples and Code Snippets

No Code Snippets are available at this moment for ComputationalQM-Scripts.

Community Discussions

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Community Discussions, Code Snippets contain sources that include Stack Exchange Network

Vulnerabilities

No vulnerabilities reported

Install ComputationalQM-Scripts

You can download it from GitHub.

Support

Email: jmborden@gmail.com GitHub: jborden on GitHub. Please do not hesitate to contact me if you need help using these scripts. Let me know if you find them useful or have hacked them for other purposes. You can also contact me if you want the modified ChemSol 2.1 program that has command-line options for custom input and output filenames that submitd.pl requires for Langevin Dipole (LD) calculations.

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