Giters
qcscine
/
sparrow
Home Page:
https://scine.ethz.ch
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Stargazers:
78
Watchers:
10
Issues:
26
Forks:
15
qcscine/sparrow Issues
How to calculate S2 state ?
Updated
16 days ago
Comments count
2
Compile Error
Updated
22 days ago
Comments count
3
Sparrow Build Failure due to unlinked yaml-cpp
Updated
6 months ago
Comments count
4
make failed because of multiple errors
Closed
8 months ago
Comments count
16
When F is involved, is it currently impossible to do TD-DFT calculations involving triplet energy operations?
Closed
9 months ago
Comments count
1
How I can run geometry optimization?
Closed
9 months ago
Comments count
1
The thermochemistry results does not appear in python
Closed
9 months ago
Comments count
2
Implicit solvation
Closed
a year ago
Comments count
3
Support PM7
Closed
a year ago
Comments count
1
Problem with Python Bingins
Closed
a year ago
Comments count
13
Verbosity setting when running in python
Closed
2 years ago
Comments count
2
Compile notes
Updated
2 years ago
Comments count
5
Zero exit code on failure
Closed
2 years ago
Comments count
3
Python is not imported if tests are disabled
Closed
2 years ago
Comments count
2
Clang complaints about potential C++ ABI mismatch
Closed
2 years ago
Comments count
2
Compilation fails with GCC 11
Closed
2 years ago
Comments count
2
installation in github actions
Updated
2 years ago
Comments count
2
DFT-D4 dispersion correction
Updated
2 years ago
Running PM6-D3H4 or DFTB-D3(BJ)
Updated
2 years ago
Comments count
2
Tests fail with clang 12
Updated
2 years ago
Comments count
1
Memory-demanding compilation
Closed
2 years ago
Comments count
2
Build Python bindings against existing sparrow installation
Updated
2 years ago
Comments count
8
fail to make test
Closed
3 years ago
Comments count
1
Saving a Molden file?
Closed
4 years ago
Comments count
4
Non-symmetric Hessian matrix
Closed
4 years ago
Comments count
3
Strange warnings using DFTBn with spin and UHF
Closed
4 years ago
Comments count
2