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NASymmetry
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MolSym
I can't believe it's NonAbelian!
MIT License
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6
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Tests and CI updates. Also Ih fix
#36
sgoodlett
opened
1 week ago
1
Symtext and SALC workflows incomplete for linear molecules
#35
sgoodlett
opened
2 weeks ago
0
Error in `pgdetect.flowchart_helper.planar_mol_axis`
#34
sgoodlett
opened
2 weeks ago
0
Making MolSym useful in Psi4
#33
sgoodlett
opened
2 weeks ago
0
MolSym fails to create SymText for O2
#32
nlk36701
opened
1 month ago
2
Feature Request: Add method for treating any group as c1
#31
nlk36701
closed
2 weeks ago
0
Update README.md
#30
sgoodlett
closed
4 months ago
0
Docs changes
#29
sgoodlett
closed
6 months ago
0
Docs push
#28
sgoodlett
closed
6 months ago
0
Changing names and Environment.yml
#27
sgoodlett
closed
6 months ago
0
Clean up PR
#26
sgoodlett
closed
7 months ago
0
Add files via upload
#25
nlk36701
closed
6 months ago
0
Added SI for molsym paper
#24
sgoodlett
closed
8 months ago
0
Bug fix: Allow tolerance in planarity check
#23
avcopan
closed
11 months ago
0
Bug fix: Build coordinate system w/o s-axis
#22
avcopan
closed
11 months ago
2
Bug fix: Inconsistent early return
#21
avcopan
closed
11 months ago
1
Development Changes from SALCs to Symtext
#20
sgoodlett
closed
11 months ago
1
License and Various Additions
#19
sgoodlett
closed
1 year ago
1
Subgroup orientation added (messily)
#18
sgoodlett
closed
1 year ago
0
Symmetrization and subgroup fix
#17
sgoodlett
closed
1 year ago
0
Fixed subgroups and class map
#16
sgoodlett
closed
1 year ago
0
Subgroups
#15
sgoodlett
closed
1 year ago
1
Fixed mol rotation when no saxis is defined
#14
sgoodlett
closed
1 year ago
0
Oh fix and Cs issue resolved
#13
sgoodlett
closed
1 year ago
0
Ih symtext added, other cubics, not sure
#12
sgoodlett
closed
1 year ago
1
Making logo better
#11
sgoodlett
closed
1 year ago
0
Rotation and H2O fix, Psi4 replaced by QCElemental
#10
sgoodlett
closed
1 year ago
0
Sgoodlett patch 1
#9
sgoodlett
closed
1 year ago
0
Adding workflow and badges maybe
#8
sgoodlett
closed
1 year ago
0
Docs
#7
sgoodlett
closed
1 year ago
0
Adding pyproject.toml
#6
sgoodlett
closed
1 year ago
0
Add timer.dat to .gitignore
#5
sgoodlett
closed
1 year ago
0
Adding workflow.yml
#4
sgoodlett
closed
1 year ago
0
Added logo to README
#3
sgoodlett
closed
1 year ago
0
Removing legacy functions
#2
sgoodlett
closed
1 year ago
0
First push to MolSym
#1
sgoodlett
closed
1 year ago
0