Commits

Commits on Jul 28, 2024

HIP compilation (#39 )

ryanstocks00
and
wavefunction91
committedJul 28, 2024

Commits on May 3, 2024

Add Builtin LDA Electron-Proton Correlation Functionals (#38 )
aodongliu
committedMay 3, 2024

Commits on Apr 24, 2024

Flesh out MGGA interfaces (#37 )

wavefunction91
and
dmejiar
committedApr 24, 2024

Commits on Apr 1, 2024

[BUGFIX] Fix MGGA Libxc wrapper for GPU (#36 )
wavefunction91
committedApr 1, 2024

Commits on Nov 7, 2023

Merge pull request #33 from abagusetty/issue_32
wavefunction91
committedNov 7, 2023

Commits on Oct 17, 2023

fix the issue for CPU builds
abagusetty
committedOct 17, 2023

Commits on Sep 20, 2023

Merge pull request #31 from susilehtola/cite_libxc
wavefunction91
committedSep 20, 2023
Drop erroneous references
susilehtola
committedSep 20, 2023
Update README.md

susilehtola
and
wavefunction91
committedSep 20, 2023
Update README.md

susilehtola
and
wavefunction91
committedSep 20, 2023
Update README.md

susilehtola
and
wavefunction91
committedSep 20, 2023
Libxc should be cited with ExchCXX.
susilehtola
committedSep 20, 2023

Commits on Aug 9, 2023

Merge pull request #29 from wavefunction91/libxc_fixup
wavefunction91
committedAug 9, 2023

Commits on Aug 8, 2023

Commits on Jul 7, 2023

Merge pull request #28 from keceli/master
wavefunction91
committedJul 7, 2023

Commits on Jul 6, 2023

Remove gen_funcidx interface
keceli
committedJul 6, 2023

Commits on May 3, 2023

Merge pull request #25 from wavefunction91/qol_fixes
wavefunction91
committedMay 3, 2023

Commits on May 2, 2023

Ensure Libxc String ctor is explit about its Libxc backend selection
wavefunction91
committedMay 2, 2023
Merge pull request #23 from dmejiar/master
wavefunction91
committedMay 2, 2023

Commits on May 1, 2023

Update CMakeLists.txt
dmejiar
committedMay 1, 2023

Commits on Apr 28, 2023

Update builtin kernels to match Libxc 6
dmejiar
committedApr 28, 2023
Update reference values to avoid unphysical sigma
dmejiar
committedApr 28, 2023
Merge branch 'master' of https://github.com/wavefunction91/ExchCXX
dmejiar
committedApr 28, 2023
Merge pull request #24 from wavefunction91/fix_ci
wavefunction91
committedApr 28, 2023
[CI] Typo in subproject paths
wavefunction91
committedApr 28, 2023
[CI] Renable full CI pipeline
wavefunction91
committedApr 28, 2023
Bump Catch2 version
wavefunction91
committedApr 28, 2023
[CI] Update CI toolchain
wavefunction91
committedApr 28, 2023
[CI] Update compiler scripts
wavefunction91
committedApr 28, 2023
[CI] Use container based CI
wavefunction91
committedApr 28, 2023
[CI] Bump Ubuntu-18.04 -> 20.04
wavefunction91
committedApr 28, 2023

Commits on Apr 27, 2023

Update polarized GGA reference values
dmejiar
committedApr 27, 2023