Ecosyste.ms: Issues

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GitHub / materialsproject/mpmorph issues and pull requests

#37 - Add all updates to dev

Pull Request - State: closed - Opened by mcgalcode over 1 year ago

#36 - Feature/lammps

Pull Request - State: closed - Opened by Tinaatucsd almost 2 years ago - 1 comment

#35 - Feature/lammps

Pull Request - State: closed - Opened by Tinaatucsd almost 2 years ago

#34 - Feature/lammps

Pull Request - State: closed - Opened by Tinaatucsd almost 2 years ago

#33 - update the lammps template file

Pull Request - State: closed - Opened by Tinaatucsd almost 2 years ago

#32 - rename data.lammps to data.dump to match with template

Pull Request - State: closed - Opened by Tinaatucsd almost 2 years ago

#31 - fix the template path

Pull Request - State: closed - Opened by Tinaatucsd almost 2 years ago

#30 - Feature/lammps

Pull Request - State: closed - Opened by Tinaatucsd almost 2 years ago

#29 - add temperature sweeping lammps input template

Pull Request - State: closed - Opened by Tinaatucsd almost 2 years ago

#28 - Refactor PV jobs

Pull Request - State: closed - Opened by mcgalcode about 2 years ago

#27 - Fix a few typos in the equilibrate volume flow

Pull Request - State: closed - Opened by mcgalcode over 2 years ago

#26 - Remove doubly stored m3gnet trajectories

Pull Request - State: closed - Opened by mcgalcode over 2 years ago - 1 comment

#25 - Fix double storage of m3net trajectory

Pull Request - State: closed - Opened by mcgalcode over 2 years ago

#24 - fix broken M3GNet test

Pull Request - State: closed - Opened by mattmcdermott over 2 years ago

#23 - update readme

Pull Request - State: closed - Opened by Tinaatucsd over 2 years ago

#22 - Initial refractor

Pull Request - State: closed - Opened by Tinaatucsd over 2 years ago - 1 comment

#21 - Feature/converge flow

Pull Request - State: closed - Opened by mcgalcode over 2 years ago

#20 - Make m3gnet an optional dependency

Pull Request - State: closed - Opened by mattmcdermott over 2 years ago - 1 comment

#19 - Update converge.py

Pull Request - State: closed - Opened by BryantLi-BLI over 2 years ago - 1 comment

#18 - Update README.md

Pull Request - State: closed - Opened by VvVLzy over 2 years ago

#17 - Argument to pass in MPRester to the get_random_packed function

Pull Request - State: closed - Opened by sivonxay about 3 years ago

#15 - Fix pymatgen compatibility and Misc small changes

Pull Request - State: closed - Opened by sivonxay over 3 years ago

#14 - Update README.md

Pull Request - State: closed - Opened by sivonxay over 4 years ago

#13 - call_packmol() does not generate mixture.xyz file

Issue - State: closed - Opened by adelaiden over 4 years ago - 2 comments

#12 - workflow script

Issue - State: closed - Opened by zccaayo almost 5 years ago

#11 - Quench fixes

Pull Request - State: closed - Opened by sivonxay almost 5 years ago

#10 - Move rescaling to from previous structure task

Pull Request - State: closed - Opened by sivonxay over 5 years ago

#9 - add wf_name

Pull Request - State: closed - Opened by jic198 over 5 years ago

#8 - Fix Trajectory Aggregation issue

Pull Request - State: closed - Opened by sivonxay over 5 years ago

#7 - Readme

Pull Request - State: closed - Opened by sivonxay over 5 years ago

#6 - Mpmorph v2

Pull Request - State: closed - Opened by sivonxay over 5 years ago

#5 - Need to get rid of final firework for trajectory aggregation.

Issue - State: closed - Opened by sivonxay over 5 years ago

#4 - Restructure

Pull Request - State: closed - Opened by jic198 over 5 years ago - 1 comment

#3 - Mpmorph v2

Pull Request - State: closed - Opened by sivonxay over 5 years ago

#2 - How to use mpmorph?

Issue - State: closed - Opened by wqtangecust about 6 years ago - 1 comment

#1 - Updated for automate

Pull Request - State: closed - Opened by shyamd about 8 years ago