Unverified Commit 3d43e38f authored by Gemma Guest's avatar Gemma Guest Committed by GitHub
Browse files

Merge pull request #32220 from ajjackson/abins-euphonic

Abins: import force constants data using Euphonic
parents 47fdb2b0 4e90b4ae
......@@ -271,7 +271,8 @@ class SimulatedDensityOfStates(PythonAlgorithm):
if euphonic_available():
file_data, self._element_isotope = get_data_with_euphonic(
euphonic_filename,
cutoff=float(self.getPropertyValue('ForceConstantsSampling')))
cutoff=float(self.getPropertyValue('ForceConstantsSampling')),
acoustic_sum_rule=None)
else:
raise ValueError("Could not load file using Euphonic: you may need to install this library.")
......
1bdf71cf0b3b4d1166098d2de345c445
4696883eeecf062fba4577ed3b0f259e
dd29409cca57ce28857c93c0768d3562
ce0d7f8e7c31c1f94502a16f6c3f48c0
bf6d81223380c62dc84c09343a74d377
affa8e3bf7262f62242c9ab9649ef87b
fa662e9735bad11d03fb80db0d6ecfdb
dead2ba96ea33e418435aa03adbbbad3
ce8f1d90b9b885b30a7846ad04e4acde
adf7b3c998a8f92eb6d393f88ef42417
4f34e71856edb1235f081a19838602bc
c5bd42405043b4e856a674f4a09fdfd1
114f66a3d0650042a058db2dfa1812af
6d302126a8d85439b799016cd9c0f58b
39f70c2c2b9330bd36656f30e98b03b1
e6557d9c1c20aede2b872ba119e4007f
cca074b4ef67bc67dd1553e43b04fb48
912c101df8f4aa2ebafadac75415040e
16568521435275ea97f250a4db780540
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment