auto_test update #1
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Non-critical Change: the help description of gen (1-5), cmpt (1-5) Critical Changes: fixed the logical error of main function in gen_01_eos.py added new optional arguments in param.json Update: run.py : automatically generating, upload, calculating, download and computing physical properties machine.json : the machine configuration file gen_06_phonon.py, cmpt_06_phonon.py : the beta version of computing phonon spectrum
Update: Added the requirement of run.py Critical Changes: changed the format of log in lib/utils.py added "chdir" commad in function: _get_files() in lib/RemoteJob.py
amcadmus
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amcadmus
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Sep 27, 2019
fix bugs, restrict the version of dpdata to >= 0.1.7. …
amcadmus
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Franklalalala
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Add xtb --grad support and path fix for windows upload.
This was referenced Feb 12, 2023
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Non-critical Change:
the help description of gen (1-5), cmpt (1-5)
Critical Changes:
changed the format of log in lib/utils.py
added "chdir" commad in function: _get_files() in lib/RemoteJob.py
fixed the logical error of main function in gen_01_eos.py
added new optional arguments in param.json
Update:
run.py : automatically generating, upload, calculating, download and computing physical properties
machine.json : the machine configuration file
gen_06_phonon.py, cmpt_06_phonon.py : the beta version of computing phonon spectrum