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Repository pm_dftb_opt
Name: pm_dftb_opt
Owner: muon-spectroscopy-computational-project
Synopsis: Run DFTB+ optimisation
Given input muonated structures, perform DFTB+ optimisation.
Content homepage: https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools
Development repository: https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_dftb_opt
Link to this repository: https://toolshed.g2.bx.psu.edu/view/muon-spectroscopy-computational-project/pm_dftb_opt/996f777bec11
Type: unrestricted
Revision: 3:996f777bec11
This revision can be installed: True
Times cloned / installed: 121

Contents of this repository

Valid tools - click the name to preview the tool and use the pop-up menu to inspect all metadata
Name Description Version Minimum Galaxy Version
run DFTB+ optimisation 0.2.3+galaxy1 22.05

Categories
Materials science - Tools for materials science
Muon spectroscopy - Tools for simulating and analyzing muon spectroscopy experiments