# HG changeset patch # User muon-spectroscopy-computational-project # Date 1709552619 0 # Node ID 85284c3e13540f4f4e507a0ce4492ebcbb276bf5 # Parent 6c28339b73f70340fd87cdece261a7eedbe6b969 planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_lcf commit 0f66842e802430e887d1c6cb7be1cc5436408fd2 diff -r 6c28339b73f7 -r 85284c3e1354 common.py --- a/common.py Wed Dec 06 13:04:01 2023 +0000 +++ b/common.py Mon Mar 04 11:43:39 2024 +0000 @@ -29,6 +29,7 @@ ) all_groups = {} for key in athena_group._athena_groups.keys(): + print(f"\nExtracting group {key}") group = get_group(athena_group, key) pre_edge_with_defaults(group=group) xftf_with_defaults(group=group) @@ -68,8 +69,7 @@ ("nnorm", "nnorm", None), ("make_flat", "flatten", None), ("step", "step", None), - # This cannot be read from file as it is not stored by Larch (0.9.71) - # ("nvict", "nvict", None), + ("nvict", "nvict", None), ) for key, parameters_key, default in keys: extract_attribute( diff -r 6c28339b73f7 -r 85284c3e1354 larch_lcf.xml --- a/larch_lcf.xml Wed Dec 06 13:04:01 2023 +0000 +++ b/larch_lcf.xml Mon Mar 04 11:43:39 2024 +0000 @@ -2,9 +2,9 @@ perform linear combination fit on XAS data - 0.9.71 + 0.9.74 - 1 + 0 10.1088/1742-6596/430/1/012007