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Bugfixes: Formatting of output and typos
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* Fixed formatting of output
* Fixed typos in the references
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paulsaxe committed Oct 20, 2024
1 parent af4eab4 commit 895ea25
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Showing 3 changed files with 6 additions and 2 deletions.
4 changes: 4 additions & 0 deletions HISTORY.rst
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@@ -1,6 +1,10 @@
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History
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2024.10.20 -- Bugfixes: Formatting of output and typos
* Fixed formatting of output
* Fixed typos in the references

2024.10.15 -- Enhancement: improved output and aded to results
* Added energy, etc. to results
* Added more detail to printed output
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2 changes: 1 addition & 1 deletion structure_step/data/references.bib
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Expand Up @@ -33,7 +33,7 @@ @Misc{structure_step
title = {Structure plug-in for SEAMM},
month = {$month},
year = {$year},
organization = {molssi-seamm},
organization = {The Molecular Sciences Software Institute (MolSSI)},
url = {https://github.com/molssi-seamm/structure_step },
address = {USA},
version = {$version}
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2 changes: 1 addition & 1 deletion structure_step/structure.py
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Expand Up @@ -254,7 +254,7 @@ def description_text(self, P=None, short=False, natoms=None):
text += " The workflow will continue if the structure "
text += "does not converge."

result += "\n" + str(__(text, **P, indent=7 * " "))
result += "\n" + str(__(text, **P, indent=4 * " "))

# Make sure the subflowchart has the data from the parent flowchart
self.subflowchart.root_directory = self.flowchart.root_directory
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