merge recent development on devel to master#134

Merged

amcadmus merged 30 commits into

Mar 24, 2021

Commits on Aug 14, 2020

Commits on Oct 24, 2020

Commits on Nov 27, 2020

add the replace method to system, using for randomly substitute atom of specific type to anothor type
felix5572
committed
add documents for replace() method
felix5572
committed

Commits on Nov 28, 2020

Merge pull request #120 from felix5572/devel
amcadmus
authored

Commits on Dec 2, 2020

Commits on Dec 12, 2020

Merge pull request #121 from marian-code/ase_enhance
amcadmus
authored

Commits on Jan 6, 2021

add pbc_coords for water
Han Wang
committed
add coordination number calculation to rdf
Han Wang
committed
Merge pull request #122 from amcadmus/devel
amcadmus
authored

Commits on Jan 9, 2021

Commits on Feb 1, 2021

test
Chentao168
committed

Commits on Feb 5, 2021

Merge pull request #125 from Chentao168/energy_qe
amcadmus
authored

Commits on Feb 9, 2021

Commits on Feb 10, 2021

Merge pull request #127 from felix5572/devel
amcadmus
authored

Commits on Feb 13, 2021

migirate to github actions
njzjz
committed

Commits on Feb 24, 2021

Commits on Feb 25, 2021

Merge pull request #129 from robinzyb/devel
amcadmus
authored

Commits on Mar 24, 2021