GitHub - dimonaks/siman: Manager for first-principles calculations

Manager for first-principles calculations.
For manual see wiki tab at github

If you use this package please cite:
Aksyonov et. al, Understanding migration barriers for monovalent ion insertion in transition metal oxide and phosphate based cathode materials: A DFT study, Comp. Mat. Sci. 154, 449-458, 2018

Name		Name	Last commit message	Last commit date
Latest commit History 984 Commits
chg_tools		chg_tools
cluster_tools		cluster_tools
docs		docs
project_template		project_template
siman		siman
tests		tests
tutorials		tutorials
.gitignore		.gitignore
CHANGELOG.rst		CHANGELOG.rst
LICENSE		LICENSE
MANIFEST.in		MANIFEST.in
README.md		README.md
build.sh		build.sh
from_server		from_server
setup.py		setup.py
to_server		to_server
todo.md		todo.md
up_master		up_master
wiki.txt		wiki.txt

License

dimonaks/siman

Folders and files

Latest commit

History

Repository files navigation

About

Resources

License

Stars

Watchers

Forks

Languages