Move Maker defaults to CompleteDFTvsMLBenchmarkWorkflow definition#333

Open

QuantumChemist wants to merge 17 commits intoautoatml:mainfrom QuantumChemist:main

+83-214

Commits on Jan 21, 2025

jfr docs extension
QuantumChemist
committed

Commits on Jan 30, 2025

Merge branch 'autoatml:main' into main
QuantumChemist
authored
move Maker defaults to complete_dft_vs_ml wf def
QuantumChemist
committed
set phonon_static_energy to None
QuantumChemist
committed
remove commented out code
QuantumChemist
committed
removed all dft_static... ref paths from fixture in auto phonon flow unit test
QuantumChemist
committed
set static_energy_maker default in DFTPhononMaker to None
QuantumChemist
committed
set static_energy_maker default in MLPhononMaker to None
QuantumChemist
committed
removed dft_static... in ref paths and static_energy_maker from fixture and set static_energy:maker to None
QuantumChemist
committed
set phonon_static_energy_maker default to None in CompleteDFTvsMLBenchmarkWorkflowMPSettings
QuantumChemist
committed

Commits on Feb 5, 2025

Commits on Feb 7, 2025

remove bc print
QuantumChemist
committed