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lines changed Original file line number Diff line number Diff line change @@ -76,7 +76,7 @@ atomate2 workflows can be run using the [FireWorks] software. See the
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## Installation
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- Atomate2 is a Python 3.7 + library and can be installed using pip. Full installation
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+ Atomate2 is a Python 3.8 + library and can be installed using pip. Full installation
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and configuration instructions are provided in the [ installation tutorial] [ installation ] .
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## Tutorials
@@ -111,6 +111,8 @@ Atomate2 is released under a modified BSD license; the full text can be found [h
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Atomate2 was designed and developed by Alex Ganose.
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+ A full list of all contributors can be found [ here] [ contributors ] .
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[ maggma ] : https://materialsproject.github.io/maggma/
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[ pymatgen ] : https://pymatgen.org
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[ fireworks ] : https://materialsproject.github.io/fireworks/
Original file line number Diff line number Diff line change @@ -8,11 +8,11 @@ This version removed Python 3.7 support following numpy and pymatgen.
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New features:
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- - Base schema for molecule task documents (@arosen ) [#54]
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+ - Base schema for molecule task documents (@arosen93 ) [#54]
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Bug fixes:
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- - Fix VASP relaxation using custodian "FULL_OPT" (@arosen ) [#42]
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+ - Fix VASP relaxation using custodian "FULL_OPT" (@arosen93 ) [#42]
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- Fix supercell generation and input sets in electron-phonon workflow.
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- Fix ``HSEBSSetGenerator `` INCAR settings.
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- Fix issue with magnetism in SOC structures.
Original file line number Diff line number Diff line change @@ -3,16 +3,12 @@ Contributors
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atomate2 was designed and developed by **Alex Ganose ** |utf | |0000-0002-4486-3321 |.
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- .. |computron | image :: https://cdnjs.cloudflare.com/ajax/libs/octicons/8.5.0/svg/mark-github.svg
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- :target: https://github.com/computron
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- :width: 16
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- :height: 16
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- :alt: GitHub profile for computron
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- .. |0000-0001-5893-9967 | image :: ../_static/orcid.svg
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- :target: https://orcid.org/0000-0001-5893-9967
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- :width: 16
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- :height: 16
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- :alt: ORCID profile for 0000-0001-5893-9967
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+ Additional contributions have been provided by:
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+ | **Andrew Rosen** |arosen| |0000-0002-0141-7006|
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+ | Miller Research Fellow
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+ | University of California, Berkeley
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+
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.. |utf | image :: https://cdnjs.cloudflare.com/ajax/libs/octicons/8.5.0/svg/mark-github.svg
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:target: https://github.com/utf
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:width: 16
@@ -23,3 +19,13 @@ atomate2 was designed and developed by **Alex Ganose** |utf| |0000-0002-4486-332
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:width: 16
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:height: 16
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:alt: ORCID profile for 0000-0002-4486-3321
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+ .. |arosen | image :: https://cdnjs.cloudflare.com/ajax/libs/octicons/8.5.0/svg/mark-github.svg
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+ :target: https://github.com/arosen93
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+ :width: 16
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+ :height: 16
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+ :alt: GitHub commits from arosen93
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+ .. |0000-0002-0141-7006 | image :: _static/orcid.svg
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+ :target: https://orcid.org/0000-0001-7777-8871
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+ :width: 16
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+ :height: 16
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+ :alt: ORCID profile for 0000-0002-0141-7006
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