pymatgen is the Python library powering the Materials Project (www.materialsproject.org).

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  • License: MIT License (MIT)
  • Author: Shyue Ping Ong
  • Tags vasp, materials, project, electronic, structure
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Project description

pymatgen is a Python library for the Materials Project (www.materialsproject.org). It includes core structure definition and utilities, electronic structure objects, and convenient IO from VASP and CIF files.

Project details

Verified details

These details have been verified by PyPI
Maintainers
Avatar for janosh from gravatar.com janosh Avatar for mkhorton from gravatar.com mkhorton Avatar for Shyue.Ping.Ong from gravatar.com Shyue.Ping.Ong

Unverified details

These details have not been verified by PyPI
Project links
Meta
  • License: MIT License (MIT)
  • Author: Shyue Ping Ong
  • Tags vasp, materials, project, electronic, structure
Classifiers

Release history Release notifications | RSS feed

2024.11.13

2024.10.29

2024.10.27

2024.10.25

2024.10.22

2024.10.3

2024.9.17.1

2024.9.17

2024.9.10

2024.8.9

2024.8.8 yanked

Reason this release was yanked:

Backward incompatible change introduced.

2024.7.18

2024.6.10

2024.6.4

2024.5.31 yanked

2024.5.1

2024.4.13

2024.4.12

2024.3.1

2024.2.23

2024.2.20

2024.2.8

2024.1.27

2024.1.26

2023.12.18

2023.11.12

2023.11.10

2023.10.11

2023.10.4

2023.10.3

2023.9.25

2023.9.10

2023.9.2

2023.8.10

2023.7.20

2023.7.17

2023.7.14

2023.7.11

2023.6.28 yanked

Reason this release was yanked:

Bad release without wheels for some systems.

2023.6.23

2023.5.31

2023.5.10

2023.5.8

2023.3.23

2023.3.10

2023.2.28

2023.2.22

2023.1.30

2023.1.20

2023.1.9

2022.11.7

2022.11.1

2022.10.22

2022.9.21

2022.9.8

2022.8.23

2022.7.25

2022.7.24.1

2022.7.24 yanked

Reason this release was yanked:

remove defunct MPRester2 in favor of more streamlined handling of new and legacy API

2022.7.19

2022.7.8

2022.5.26

2022.5.19

2022.5.18.1

2022.5.18

2022.5.17

2022.4.26

2022.4.19

2022.3.29

2022.3.24

2022.3.22

2022.3.7

2022.2.10

2022.2.7

2022.2.1

2022.1.24

2022.1.20

2022.1.9

2022.1.8

2022.0.17

2022.0.16

2022.0.15

2022.0.14

2022.0.13

2022.0.12

2022.0.11

2022.0.10

2022.0.9

2022.0.8

2022.0.7

2022.0.6

2022.0.5

2022.0.4

2022.0.3

2022.0.2 yanked

Reason this release was yanked:

Buggy version

2022.0.1 yanked

Reason this release was yanked:

Buggy version

2022.0.0 yanked

Reason this release was yanked:

Buggy version

2021.3.9

2021.3.5

2021.3.4 yanked

Reason this release was yanked:

Breaking change in this version. Reverted in 2021.3.5.

2021.3.3

2021.2.16

2021.2.14

2021.2.13

2021.2.8.1

2021.2.8

2020.12.31

2020.12.18

2020.12.3

2020.11.11

2020.10.20

2020.10.9.1

2020.10.9

2020.9.14

2020.8.13

2020.8.3

2020.7.18

2020.7.16

2020.7.14

2020.7.10

2020.7.3

2020.6.8

2020.4.29

2020.4.2

2020.3.13

2020.3.2

2020.1.28

2020.1.10

2019.12.22

2019.12.3

2019.11.11

2019.10.16

2019.10.4

2019.10.3

2019.10.2

2019.9.16

2019.9.12

2019.9.8

2019.9.7

2019.8.23

2019.8.14

2019.7.30

2019.7.21

2019.7.2

2019.6.20

2019.6.5

2019.5.28

2019.5.8

2019.5.1

2019.4.11

2019.3.27

2019.3.13

2019.2.28

2019.2.24

2019.2.4

2019.1.24

2019.1.13

2018.12.12

2018.11.30

2018.11.6

2018.10.18

2018.9.30

2018.9.19

2018.9.12

2018.9.1

2018.8.10

2018.8.7

2018.7.23

2018.7.15

2018.6.27

2018.6.11

2018.5.22

2018.5.21

2018.5.14

2018.5.3

2018.4.20

2018.4.6

2018.3.23

2018.3.14

2018.3.13

2018.3.2

2018.2.13

2018.1.29

2018.1.19

2017.12.30

2017.12.16

2017.12.15

2017.12.8

2017.12.6

2017.11.30

2017.11.27

2017.11.9

2017.11.6

2017.10.16

2017.9.23

2017.9.3

2017.9.1

2017.8.21

2017.8.20

2017.8.16

2017.8.14

2017.8.4

2017.7.21

2017.7.4

2017.6.24

2017.6.22

2017.6.8

4.7.7

4.7.6

4.7.5

4.7.4

4.7.3

4.7.2

4.7.1

4.7.0

4.6.2

4.6.1

4.6.0

4.5.7

4.5.6

4.5.5

4.5.4

4.5.3

4.5.2

4.5.1

4.5.0

4.4.12

4.4.11

4.4.10

4.4.9

4.4.8

4.4.7

4.4.6

4.4.5

4.4.4

4.4.3

4.4.2

4.4.1

4.4.0

4.3.2

4.3.1

4.3.0

4.2.5

4.2.4

4.2.3

4.2.2

4.2.1

4.2.0

4.1.1

4.1.0

4.0.2

4.0.1

4.0.0

3.7.1

3.7.0

3.6.1

3.6.0

3.5.3

3.5.2

3.5.1

3.5.0

3.4.0

3.3.6

3.3.5

3.3.4

3.3.3

3.3.2

3.3.1

3.3.0

3.2.10

3.2.9

3.2.8

3.2.7

3.2.6

3.2.5

3.2.4

3.2.3

3.2.2

3.2.1

3.2.0

3.1.9

3.1.8

3.1.7

3.1.6

3.1.5

3.1.4

3.1.3

3.1.2

3.1.1

3.1.0

3.0.13

3.0.12

3.0.11

3.0.10

3.0.9

3.0.8

3.0.7

3.0.6

3.0.5

3.0.4

3.0.3

3.0.2

3.0.1

3.0.0

2.10.6

2.10.5

2.10.4

2.10.3

2.10.2

2.10.1

2.10.0

2.9.14

2.9.13

2.9.12

2.9.11

2.9.10

2.9.9

2.9.8

2.9.7

2.9.6

2.9.5

2.9.4

2.9.3

2.9.2

2.9.1

2.9.0

2.8.10

2.8.9

2.8.8

2.8.7

2.8.6

2.8.5

2.8.3

2.8.2

2.8.1

2.8.0

2.7.9

2.7.8

2.7.7

2.7.6

2.7.5

2.7.4

2.7.3

2.7.2b pre-release

2.7.1

2.7.0

2.6.6

2.6.5

2.6.4

2.6.3

2.6.2

2.6.1

2.5.5

2.5.4

2.5.3

2.5.2

2.5.1

2.5.0

2.4.3

2.4.2

2.4.1

2.4.0

2.3.2

2.3.1

2.3.0

2.2.6

2.2.4

2.2.3

2.2.2

2.2.1

2.2.0

2.1.2

2.1.0

2.0.0

1.9.0

1.8.3

1.8.2

1.8.0

1.7.2

1.7.0

1.6.0

1.5.0

1.2.9

1.2.8

1.2.4

1.2.3

1.2.2

1.2.1

This version

1.2.0

1.1.2

1.1.1

1.1.0

1.0.5

1.0.4

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