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Get correct |Mu| and |Mu_Bond|
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kmlefran committed May 3, 2024
1 parent ae14e95 commit 1344c2a
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Showing 2 changed files with 2 additions and 2 deletions.
2 changes: 1 addition & 1 deletion subproptools/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -11,4 +11,4 @@
https://www.lakeheadu.ca/users/M/rmawhinn
"""

__version__ = "0.4.2"
__version__ = "0.4.3"
2 changes: 1 addition & 1 deletion subproptools/qtaim_extract.py
Original file line number Diff line number Diff line change
Expand Up @@ -763,7 +763,7 @@ def get_sub_props(atomDict: dict, subAtoms: list[int], atomList: list[str]):
)
groupDict.update(
{
"|Mu_Bond|": [
"|Mu|": [
math.sqrt(
groupDict["Mu_X"][0] ** 2
+ groupDict["Mu_Y"][0] ** 2
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