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ExPyRe on PyPi

Status: Open.

#28 In libAtoms/ExPyRe;

· gelzinyte opened on Nov 14, 2022

stop relying on remote job id

Status: Open.

#23 In libAtoms/ExPyRe;

· bernstei opened on Jul 13, 2022

Quantum Espresso Geometry Optimization Error Code 3

Status: Open.

#22 In libAtoms/ExPyRe;

· ghost opened on Jul 6, 2022

Review error handling

docathon

Status: Open.

#20 In libAtoms/ExPyRe;

· gelzinyte opened on Jun 28, 2022

Example of a DFT job

docathon

Status: Open.

#19 In libAtoms/ExPyRe;

· gelzinyte opened on Jun 28, 2022

combining multiple job starts

Status: Open.

#12 In libAtoms/ExPyRe;

· bernstei opened on Mar 28, 2022

more flexibility in queued job batch files

Status: Open.

#11 In libAtoms/ExPyRe;

· bernstei opened on Mar 25, 2022

speculative job submission

enhancementNew feature or requestNew feature or request

Status: Open.

#9 In libAtoms/ExPyRe;

· bernstei opened on Jan 21, 2022

make memory information available in System.header

enhancementNew feature or requestNew feature or request

Status: Open.

#8 In libAtoms/ExPyRe;

· bernstei opened on Jan 20, 2022