Branches

• docs-fix-importclash

  b097afb1 · update paths in docs · May 21, 2024
• espresso_manual_kpoints

  401eb249 · initial · Apr 26, 2024
• siesta-calculator-BSC

  7af819d6 · Added back get_ion in siesta calculator · Apr 26, 2024
• parallel_suffix

  f786a995 · initial · Apr 14, 2024
• fix-__array__-signature

  d3b00aa0 · update signature of Cell.__array__() for numpy 2.0 · Apr 12, 2024
• add-write-for-dftd3

  64532cee · add method to call calc.write which calls calc.dft.write for consistency among calculators · Apr 12, 2024
• ruff_up

  85702b34 · Update atoms.py · Apr 12, 2024
• ruff_sim

  7e396b4b · Merge branch 'master' into 'ruff_sim' · Apr 12, 2024
• template_flexibility

  6a9fbc10 · Allow for the user to override the templates in GenericFileIOCalculators · Apr 11, 2024
• vasp-errormsg

  499deef3 · Update vasp.py · Feb 21, 2024
• high-entropy-alloys

  8d70e705 · Added simple alloy generation module · Feb 09, 2024
• todict_genfilio

  c533817f · Ask's suggestions · Feb 07, 2024
• onetep_directory

  7df2dffa · initial · Jan 30, 2024
• bz_wannier

  3b19e253 · made symmetry error more informative' · Jan 29, 2024
• dyn_restarts

  ec629949 · initial · Jan 20, 2024
• 1415-confusion-about-the-new-parallel_info-business

  8f2bca78 · Merge branch 'fix-test-suite-crash' into 'master' · Jan 13, 2024
• test_fixes

  39ab677b · Merge branch 'test_fixes' into 'master' · Jan 09, 2024
• rosen-espresso-io

  b71ffde1 · Merge branch 'espresso_io' into rosen-espresso-io · Dec 29, 2023
• rosentest

  1224e654 · Merge branch 'espresso_ph_io' into rosentest · Dec 17, 2023
• rosenonetep

  c7078e83 · Merge branch 'onetep' into rosenonetep · Dec 17, 2023