Branches

• espresso-make-pseudopotential-lookup-more-safe

  f5dfd93b · more robust handling of path/string in Espresso io · Apr 04, 2023
• castep-genericfileio

  65f71808 · Castep GenericFileIO: sort forces to original Atoms order · Mar 25, 2023
• calculator_refactor/octopus

  a1e81adc · Put class methods under test · Mar 23, 2023
• more-test-magic

  1b1235f3 · Add noqa line. · Mar 20, 2023
• db_reduced_formula

  0dd28e79 · add reduced formula to db row objects · Nov 16, 2022
• block-db-insert

  4f8d5199 · Merge branch 'master' into block-db-insert · Nov 07, 2022
• fix-mclc-recognition

  68232091 · update comment and fix flakes · Oct 26, 2022
• mysql_port

  5683b198 · satisfy linter · Oct 25, 2022
• issues-1139

  20af37e7 · increase force tolerances · Sep 30, 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
• 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
• remove-unused-serial-keyword

  2c1faf4e · there is a keyword called serial which is used nowhere. It is also undocumented. Remove it. · Jun 07, 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