20241105

What's Changed

• update from main to branch by @KarimElgammal in #33
• 32 add calculations by @KarimElgammal in #34
• Merge pull request #34 from MarcMaussner/32-add-calculations by @KarimElgammal in #35
• 32 add calculations by @KarimElgammal in #36
• updates from main by @KarimElgammal in #37
• 32 add calculations by @KarimElgammal in #38
• add changes from main by @KarimElgammal in #39
• 32 add calculations by @KarimElgammal in #40

Full Changelog: 2024110...2024110

20241101

What's Changed

• merge commit from main by @KarimElgammal in #28
• 27 try with sv1 by @KarimElgammal in #29
• reorg for submission by @KarimElgammal in #31

Full Changelog: 2024102...2024110

20241028

What's Changed

• updates from main by @KarimElgammal in #25
• 24 trying without vqe by @KarimElgammal in #26

Full Changelog: 2024101...2024102

20241013

What's Changed

• PBE+grimme Al4x4 by @KarimElgammal in #22

Full Changelog: 2024083...2024101

20240830

What's Changed

• reorg and systematic working runs by @KarimElgammal in #20
• update with Al4x4 system converged by @KarimElgammal in #21

Full Changelog: 2024082...2024083

20240823

What's Changed

• Max paper redo by @KarimElgammal in #11
• Max rerun by @KarimElgammal in #12
• updates by @KarimElgammal in #13
• update by @KarimElgammal in #14
• Merge pull request #14 from MarcMaussner/main by @KarimElgammal in #15
• Running al111 by @KarimElgammal in #16
• Merge pull request #16 from MarcMaussner/running-Al111 by @KarimElgammal in #17
• Running al111 by @KarimElgammal in #18
• Running al111 by @KarimElgammal in #19

Full Changelog: 2028081...2024082

20280812

What's Changed

• candidates1 by @KarimElgammal in #1
• Literature article example by @KarimElgammal in #2
• testing package load-atoms by @KarimElgammal in #3
• success run of literature cp2k by @KarimElgammal in #4
• updates from main by @KarimElgammal in #5
• Literature workflow redo by @KarimElgammal in #6
• updates from main by @KarimElgammal in #7
• Resource estimation by @KarimElgammal in #8
• estimate prices trial by @KarimElgammal in #9
• cp2k literature working by @KarimElgammal in #10

New Contributors

• @KarimElgammal made their first contribution in #1

Full Changelog: https://github.com/MarcMaussner/2024_inhibitQ/commits/20280812