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qcscine
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sparrow
https://scine.ethz.ch
BSD 3-Clause "New" or "Revised" License
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How to calculate S2 state ?
#27
Yotta-private
opened
2 months ago
2
Compile Error
#26
Yotta-private
opened
2 months ago
3
Sparrow Build Failure due to unlinked yaml-cpp
#25
njh80
opened
7 months ago
4
make failed because of multiple errors
#24
JohannaXiao
closed
9 months ago
16
When F is involved, is it currently impossible to do TD-DFT calculations involving triplet energy operations?
#23
yklee3333
closed
10 months ago
1
The thermochemistry results does not appear in python
#22
totocotonio1
closed
10 months ago
2
How I can run geometry optimization?
#21
ProkopHapala
closed
10 months ago
1
Problem with Python Bingins
#20
ProkopHapala
closed
1 year ago
13
Verbosity setting when running in python
#19
shihchengli
closed
1 year ago
2
installation in github actions
#18
stenczelt
opened
2 years ago
2
Implicit solvation
#17
awvwgk
closed
1 year ago
3
DFT-D4 dispersion correction
#16
awvwgk
opened
2 years ago
0
Support PM7
#15
awvwgk
closed
1 year ago
1
Running PM6-D3H4 or DFTB-D3(BJ)
#14
awvwgk
opened
2 years ago
2
Tests fail with clang 12
#13
awvwgk
opened
2 years ago
1
Zero exit code on failure
#12
awvwgk
closed
2 years ago
3
Python is not imported if tests are disabled
#11
awvwgk
closed
2 years ago
2
Clang complaints about potential C++ ABI mismatch
#10
awvwgk
closed
2 years ago
2
Build Python bindings against existing sparrow installation
#9
awvwgk
opened
2 years ago
8
Compilation fails with GCC 11
#8
awvwgk
closed
2 years ago
2
Memory-demanding compilation
#7
awvwgk
closed
2 years ago
2
Compile notes
#6
frobnitzem
opened
2 years ago
5
fail to make test
#5
seolhokim
closed
3 years ago
1
Fix typo in README
#4
susilehtola
closed
2 years ago
2
Non-symmetric Hessian matrix
#3
Jellby
closed
4 years ago
3
Saving a Molden file?
#2
ghutchis
closed
4 years ago
4
Strange warnings using DFTBn with spin and UHF
#1
ehermes
closed
4 years ago
2