https://github.com/qcscine/development-utils

https://github.com/qcscine/development-utils

chemistry computational-chemistry quantum-chemistry

Last synced: about 2 months ago
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• Host: GitHub
• URL: https://github.com/qcscine/development-utils
• Owner: qcscine
• License: bsd-3-clause
• Created: 2020-11-27T06:09:11.000Z (about 4 years ago)
• Default Branch: master
• Last Pushed: 2024-08-26T04:06:17.000Z (4 months ago)
• Last Synced: 2024-08-26T05:23:51.971Z (4 months ago)
• Topics: chemistry, computational-chemistry, quantum-chemistry
• Language: CMake
• Homepage: https://scine.ethz.ch
• Size: 142 KB
• Stars: 0
• Watchers: 4
• Forks: 1
• Open Issues: 3
• Metadata Files:
  • Readme: README.rst
  • Changelog: CHANGELOG.rst
  • Contributing: CONTRIBUTING.rst
  • License: LICENSE.txt

Awesome Lists containing this project

README

        
SCINE - Development Utilities

=============================

Introduction

------------

This repository contains scripts and other stuff useful in all SCINE projects.

License and Copyright Information

---------------------------------

This work is (unless stated otherwise) distributed under the BSD 3-clause "New"

or "Revised" License. For more license and copyright information, see the file

``LICENSE.txt`` in this repository.

How to Cite

-----------

When publishing results obtained with any SCINE module, please cite the following paper:

T. Weymuth, J. P. Unsleber, P. L. Türtscher, M. Steiner, J.-G. Sobez, C. H. Müller, M. Mörchen,

V. Klasovita, S. A. Grimmel, M. Eckhoff, K.-S. Csizi, F. Bosia, M. Bensberg, M. Reiher,

"SCINE—Software for chemical interaction networks", *J. Chem. Phys.*, **2024**, *160*, 222501

(DOI `10.1063/5.0206974 `_).