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… print lines for gpaw_tasks and pyscf_tasks
… GP training process, as implemented in commits 34ec1a and fc7018 in the 'for-sc-cider' branch.
…passed to the dftd4.pyscf.energy function in both non-CIDER and CIDER modes
…lc'].get('xc') is None during CIDER calculations, causing get_damping_param(None) to raise an error
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Delete only_dfj in density_fit in pyscf_caller.py
Keep spin and charge from previous calc in SCFCalcFromRestart
Replace the way gpaw_caller set kpts that was hard-coded and Add some print lines for gpaw_tasks and pyscf_tasks
Add how the branch 'for-sc-cider' introduces the omega feature in the GP training process, as implemented in commits 34ec1a and fc7018 in the 'for-sc-cider' branch.
Added print functions to the DFTD4 section to check the xc parameter passed to the dftd4.pyscf.energy function in both non-CIDER and CIDER modes
Modified the DFTD4 print section in pyscf_caller because settings['calc'].get('xc') is None during CIDER calculations, causing get_damping_param(None) to raise an error