edrixs - v0.1.1

What's Changed

• fix a bug about "endindx" in opavgdriver.f90 by @shenmidelin in https://github.com/NSLS-II/edrixs/pull/198
• update docker process by @mpmdean in https://github.com/NSLS-II/edrixs/pull/197
• add ref and correct typo by @mpmdean in https://github.com/NSLS-II/edrixs/pull/203
• other papers update by @mpmdean in https://github.com/NSLS-II/edrixs/pull/204
• add extra docker stage by @mpmdean in https://github.com/NSLS-II/edrixs/pull/205
• docs update by @mpmdean in https://github.com/NSLS-II/edrixs/pull/207
• Fix OSX compilation by @mrakitin in https://github.com/NSLS-II/edrixs/pull/200

Full Changelog: https://github.com/NSLS-II/edrixs/compare/v0.1.0...v0.1.1

- Python
Published by mrakitin over 1 year ago

edrixs - v0.1.0

What's Changed

• Mac os by @mpmdean in https://github.com/NSLS-II/edrixs/pull/163
• add recently published papers by @mpmdean in https://github.com/NSLS-II/edrixs/pull/165
• ignore output files of EDRIXS by @mpmdean in https://github.com/NSLS-II/edrixs/pull/166
• add more papers by @mpmdean in https://github.com/NSLS-II/edrixs/pull/168
• Hund's example by @mpmdean in https://github.com/NSLS-II/edrixs/pull/172
• add CT exciton by @mpmdean in https://github.com/NSLS-II/edrixs/pull/174
• fix mistake with file location by @mpmdean in https://github.com/NSLS-II/edrixs/pull/175
• Fix binder by @mpmdean in https://github.com/NSLS-II/edrixs/pull/177
• update ex 7 by @mpmdean in https://github.com/NSLS-II/edrixs/pull/178
• remove codecov by @mpmdean in https://github.com/NSLS-II/edrixs/pull/180
• hopefully the last ex 7 fix by @mpmdean in https://github.com/NSLS-II/edrixs/pull/179
• cmake build by @kleinhenz in https://github.com/NSLS-II/edrixs/pull/157
• various small typos by @mpmdean in https://github.com/NSLS-II/edrixs/pull/189
• typo fix by @mpmdean in https://github.com/NSLS-II/edrixs/pull/195
• update papers by @mpmdean in https://github.com/NSLS-II/edrixs/pull/194

Full Changelog: https://github.com/NSLS-II/edrixs/compare/v0.0.8...v0.1.0

- Python
Published by mrakitin over 2 years ago

edrixs - v.0.0.8

Various bug fixes including fixing the polarization normalization in python xas solver.

- Python
Published by mpmdean over 3 years ago

edrixs - v0.0.6

• Three auto examples are added, including an example of performing charge-transfer calculations.
• Add utilities to return energy levels of impurity and bath, given charger-transfer energy and U.
• Several bug fixs.

- Python
Published by shenmidelin over 5 years ago

edrixs - small update

In this version, documentation and new examples are upated.

- Python
Published by shenmidelin almost 6 years ago