Issues

• ExPyRe on PyPi

  libAtoms/ExPyRe#28 · Filter by author gelzinyte opened on Nov 14, 2022
  

• stop relying on remote job id

  libAtoms/ExPyRe#23 · Filter by author bernstei opened on Jul 13, 2022

• Quantum Espresso Geometry Optimization Error Code 3

  libAtoms/ExPyRe#22 · Filter by author ghost opened on Jul 6, 2022
  18

• Review error handling

  docathon
  libAtoms/ExPyRe#20 · Filter by author gelzinyte opened on Jun 28, 2022

• Example of a DFT job

  docathon
  libAtoms/ExPyRe#19 · Filter by author gelzinyte opened on Jun 28, 2022

• combining multiple job starts

  libAtoms/ExPyRe#12 · Filter by author bernstei opened on Mar 28, 2022
  5

• more flexibility in queued job batch files

  libAtoms/ExPyRe#11 · Filter by author bernstei opened on Mar 25, 2022

• speculative job submission

  enhancement
  libAtoms/ExPyRe#9 · Filter by author bernstei opened on Jan 21, 2022

• make memory information available in System.header

  enhancement
  libAtoms/ExPyRe#8 · Filter by author bernstei opened on Jan 20, 2022
  1