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Merge pull request #64 from alchem0x2A/master
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redesigning quicktest module and fix import message
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alchem0x2A authored Oct 31, 2024
2 parents 9fd4e47 + dcfc960 commit e256a58
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Showing 4 changed files with 365 additions and 96 deletions.
1 change: 1 addition & 0 deletions setup.py
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Expand Up @@ -29,6 +29,7 @@
# ASE 3.22 dependency will be deprecated in 1.1.0+ release
install_requires=["ase>=3.22.0", "numpy>=1.23", "packaging>=20.0", "psutil>=5.0.0"],
entry_points={
# TODO: deprecate
"ase.io": [
"sparc = sparc.io",
],
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4 changes: 4 additions & 0 deletions sparc/api.py
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Expand Up @@ -44,6 +44,10 @@ def __init__(self, json_api=None):
self.parameters = json_data["parameters"]
self.other_parameters = json_data["other_parameters"]
self.data_types = json_data["data_types"]
# TT: 2024-10-31 add the sources to trace the origin
# locate_api can modify self.source if it is deferred from LaTeX
# at runtime
self.source = {"path": json_api.as_posix(), "type": "json"}

def get_parameter_dict(self, parameter):
"""
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