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Tools for ab initio calculations 0.0.1 - Download




About Tools for ab initio calculations

Soft for ab initio and MD simulating of water system. Contains program for ICE: construct ice, specific monte-carlo simulation, proton rearrangement calculations; for PDB-water: calculate rotation energy profile, for...

Soft for ab initio and MD simulating of water system. Contains program for ICE: construct ice, specific monte-carlo simulation, proton rearrangement calculations; for PDB-water: calculate rotation energy profile, for Effective Fragment simulations.



Previous Versions

Here you can find the changelog of Tools for ab initio calculations since it was posted on our website on 2015-04-28 03:00:00. The latest version is 0.0.1 and it was updated on 2024-04-22 15:49:47. See below the changes in each version.

Tools for ab initio calculations version rotator-0.0.1
Updated At: 2006-04-25
Changes: Several fixes and updates
Tools for ab initio calculations version rotator-0.0.1
Updated At: 2006-04-25


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  3.0/5     1
Downloads: 35
Updated At: 2024-04-22 15:49:47
Publisher: comcon1
Operating System: Mac,windows,linux
License Type: Free