shakenbreak

Package to generate and analyse distorted defect structures, in order to identify ground-state and metastable defect configurations.

Project description

The author of this package has not provided a project description

Project details

Release history Release notifications | RSS feed

23.6.23 yanked

Jun 23, 2023

Reason this release was yanked:

Switch to SemVer

23.6.3 yanked

Jun 5, 2023

23.4.27 yanked

Apr 27, 2023

23.4.26 yanked

Apr 26, 2023

23.2.8 yanked

Feb 8, 2023

23.2.2 yanked

Feb 3, 2023

23.1.25 yanked

Jan 25, 2023

23.1.7 yanked

Jan 7, 2023

22.12.2 yanked

Dec 1, 2022

22.12.1 yanked

Dec 1, 2022

22.11.29 yanked

Nov 29, 2022

22.11.19 yanked

Nov 18, 2022

22.11.18 yanked

Nov 18, 2022

22.11.17 yanked

Nov 17, 2022

22.11.7 yanked

Nov 7, 2022

22.11.1 yanked

Nov 2, 2022

22.10.14 yanked

Oct 14, 2022

22.10.13 yanked

Oct 14, 2022

22.9.21 yanked

Sep 21, 2022

22.9.2 yanked

Sep 2, 2022

Reason this release was yanked:

Switching to SemVer

3.3.6

Aug 17, 2024

3.3.5

Jun 6, 2024

3.3.4

Jun 5, 2024

3.3.3

May 15, 2024

3.3.1

Feb 29, 2024

3.3.0

Feb 13, 2024

3.2.3

Oct 12, 2023

3.2.2 yanked

Sep 10, 2023

Reason this release was yanked:

In some cases could give unsorted structure leading to a VASP ROPT error. Best to remove

3.2.1 yanked

Aug 30, 2023

Reason this release was yanked:

Slight backwards incompatibility for parsing with SnB folders generated with earlier versions

3.2.0

Aug 24, 2023

3.1.0

Aug 12, 2023

3.0.0

Jul 22, 2023

1.0.2

Sep 1, 2022

1.0.0

Aug 22, 2022

0.2.4

Jun 9, 2022

0.2.3

Jun 9, 2022

This version

0.2.2

Jun 9, 2022

0.2.1

Jun 9, 2022

0.2

Jun 9, 2022

0.1

Jun 8, 2022

Download files

Download the file for your platform. If you're not sure which to choose, learn more about installing packages.

Source Distribution

shakenbreak-0.2.2.tar.gz (5.6 MB view hashes)

Uploaded Jun 9, 2022 Source

Built Distribution

shakenbreak-0.2.2-py3-none-any.whl (5.8 MB view hashes)

Uploaded Jun 9, 2022 Python 3

Hashes for shakenbreak-0.2.2.tar.gz

Hashes for shakenbreak-0.2.2.tar.gz
Algorithm	Hash digest
SHA256	`8d36272776a523d43b7983a32659232e2218f03ee6da1d9eae8d58635d2446a5`
MD5	`6144d534bd10b80329f4fc99861659fa`
BLAKE2b-256	`cdea349ac4f2251d5f34f748044d129e8fdfd0e803ad6cef7c46bb96d915bf6c`

Hashes for shakenbreak-0.2.2-py3-none-any.whl

Hashes for shakenbreak-0.2.2-py3-none-any.whl
Algorithm	Hash digest
SHA256	`13df989b0b4e19366256bc5fe04d015424a53d6a2ce59cc0d333350c63db8198`
MD5	`e56b86b7c599b77acbb383b8afee7793`
BLAKE2b-256	`c28862b70c80b0f4043b89eb69ccb5d81ea162607f3f895a4c3b2940f0c3f815`