Change Log

[6.2.2] - 2023-06-14

Hotfix to fix the dimension of some of the fourth derivative arrays.

Fixed

[6.2.1] - 2023-06-13

Hotfix to disable use of host-specific instructions by default in CMake.

Fixed

[6.2.0] - 2023-05-26

This is again a bugfix release, which also adds some functionals.

Fixed

Added

[6.1.0] - 2023-01-10

This is a bugfix release, which also adds some functionals.

Fixed

Added

Removed

[6.0.0] - 2022-10-14

This release changes the internal handling of derivatives in Libxc. Instead of the previous code where the same driver was used to evaluate all derivatives (controlled by an if statement in the innermost loop), in this version specialized versions of the Maple kernels are generated for all targeted numbers of derivatives as well as spin-polarized vs spin-unpolarized calculations. Moreover, array access has been improved, resulting in significant speedups on GPUs.

Fixed

Added

[5.2.3] - 2022-05-16

Fixed

[5.2.2] - 2022-02-01

Fixed

[5.2.1] - 2022-01-31

Fixed

[5.2.0] - 2022-01-21

Fixed

Added

[5.1.7] - 2021-10-25

Fixed

Added

[5.1.6] - 2021-09-07

Fixed

Added

[5.1.5] - 2021-06-10

Fixed

Added

[5.1.4] - 2021-05-10

Fixed

Added

[5.1.3] - 2021-03-30

Fixed

[5.1.2] - 2021-02-12

Fixed

[5.1.1] - 2021-02-09

Added

Fixed

[5.1.0] - 2021-01-19

Added

Fixed

Changed

Removed

[5.0.0] - 2020-04-06

Added

Changed

Fixed

Removed

[4.3.4] - 2019-03-04

Fixed

Changed

[4.3.3] - 2019-02-11

Fixed

[4.3.2] - 2019-02-07

Fixed

Changed

[4.3.1] - 2019-02-05

Fixed

[4.3.0] - 2019-01-30

Added

Fixed

Deprecated

[4.2.3] - 2018-07-02

Added

Fixed

[4.2.2] - 2018-06-25

Added

[4.2.1] - 2018-06-06

Added

[4.2.0] - 2018-06-04

Added

[4.1.1] - 2018-05-08

Fixed

[4.1.0] - 2018-05-07

Added

Changed

Fixed

[4.0.5] - 2018-05-04

Fixed

Changed

[4.0.4] - 2018-01-17

Fixed

[4.0.3] - 2017-11-20

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[3.0.1] - 2017-11-20

Fixed

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[4.0.2] - 2017-11-03

Fixed

[4.0.1] - 2017-09-28

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Removed

Fixed

[4.0.0] - 2017-09-24

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Removed

Fixed

[3.0.0] - 2016-04-21

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Removed

Fixed

[2.1.3] and [2.2.3] - 2016-04-21

Fixed

[2.1.2] and [2.2.2] - 2015-02-19

Fixed

[2.1.1] and [2.2.1] - 2014-10-30

Fixed

[2.2.0] - 2014-03-21

Changed

[2.1.0] - 2014-03-21

Added

Changed

[2.0.3] - 2014-02-18

Fixed

[2.0.2] - 2013-07-10

Fixed

[2.0.1] - 2013-01-21

Fixed

[2.0.0] - 2012-11-28

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Changed

Fixed

[1.2.0] - 2012-03-22

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Removed

Fixed

[1.1.0] - 2011-05-12

Added

Fixed

[1.0.0] - 2010-07-09

Added