Branches

• master default protected

  a1ba94c9 · Changes for xTB and cd basis · Sep 26, 2022
• tgmaxson-master-patch-09078

  09a9112c · self.atoms can be accessed but not part of __init__ which can cause exceptions · Sep 19, 2022
• ase-climb-fix-internals

  119d1658 · flake fixes · Sep 10, 2022
• gaussian-tests

  22c20d88 · ASE/Fireworks Workshop 2021 first commit · Aug 30, 2022
• waveman68-master-patch-32525

  dd23c25c · Changed to comment marks to avoid absolute line numbers per AHL suggestion · Aug 15, 2022
• fix-more-flakes

  76ec28ed · fix final flakes of type E275 · Aug 01, 2022
• deprecate-fleur-calculator

  bb75a2fc · Move the deprecation warning inside the Calculator · Jul 14, 2022
• defect-setup-utils

  96784bcc · added new supercell setup logic · Jul 04, 2022
• wannier-decouple-calc

  5280301b · WIP: partial changes and sketch of how we would decouple Wannier class from... · Jun 30, 2022
• doscollection-hint-fix

  78a7b980 · Fix DOSCollection.__add__ type hint · Jun 24, 2022
• py-typed

  9fc8d816 · Explain why py.typed is there · Jun 17, 2022
• remove-unused-serial-keyword

  2c1faf4e · there is a keyword called serial which is used nowhere. It is also undocumented. Remove it. · Jun 07, 2022
• genericfileio-fix-socketio

  19633a2f · enable test in lite job · May 28, 2022
• configfile-revised

  06064d54 · mark socketio integration test as lite · May 28, 2022
• gpaw-yml-debug

  a69ee7cf · debugging · May 12, 2022
• add-intercalated

  562b4a9c · Added metastability + edge detection · Apr 12, 2022
• orca-factory-dev

  54c5d8a2 · flakes · Mar 20, 2022
• waveman68-master-patch-25652

  4836e281 · Added support for output block in octopus code version 11+ · Feb 14, 2022
• speckhard/ase-exciting_calc

  1932775d · Corrected bugs and cleaned up the binary runner. · Feb 07, 2022
• debug-docs

  0e00786b · Debug nightly build of docs · Jan 24, 2022