https://github.com/haschka/multicube

Obtaining molecular partial charges using direct minimization
https://github.com/haschka/multicube

gpu-computing l1-norm minimization opencl partial-charges quantum-chemistry quantum-chemistry-programs

Last synced: 4 months ago
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Obtaining molecular partial charges using direct minimization

• Host: GitHub
• URL: https://github.com/haschka/multicube
• Owner: haschka
• Created: 2015-07-27T23:25:37.000Z (almost 10 years ago)
• Default Branch: master
• Last Pushed: 2020-12-31T12:33:48.000Z (over 4 years ago)
• Last Synced: 2025-01-03T03:20:36.170Z (5 months ago)
• Topics: gpu-computing, l1-norm, minimization, opencl, partial-charges, quantum-chemistry, quantum-chemistry-programs
• Language: C
• Homepage: https://doi.org/10.1016/j.comptc.2015.10.008
• Size: 2.01 MB
• Stars: 0
• Watchers: 1
• Forks: 0
• Open Issues: 0

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