Issues
- 2
How to calculate S2 state ?
#27 opened by Yotta-private - 3
Compile Error
#26 opened by Yotta-private - 4
Sparrow Build Failure due to unlinked yaml-cpp
#25 opened by njh80 - 16
make failed because of multiple errors
#24 opened by JohannaXiao - 1
When F is involved, is it currently impossible to do TD-DFT calculations involving triplet energy operations?
#23 opened by yklee3333 - 1
How I can run geometry optimization?
#21 opened by ProkopHapala - 2
- 3
Implicit solvation
#17 opened by awvwgk - 1
Support PM7
#15 opened by awvwgk - 13
Problem with Python Bingins
#20 opened by ProkopHapala - 2
Verbosity setting when running in python
#19 opened by shihchengli - 5
Compile notes
#6 opened by frobnitzem - 3
Zero exit code on failure
#12 opened by awvwgk - 2
Python is not imported if tests are disabled
#11 opened by awvwgk - 2
Clang complaints about potential C++ ABI mismatch
#10 opened by awvwgk - 2
Compilation fails with GCC 11
#8 opened by awvwgk - 2
installation in github actions
#18 opened by stenczelt - 0
DFT-D4 dispersion correction
#16 opened by awvwgk - 2
Running PM6-D3H4 or DFTB-D3(BJ)
#14 opened by awvwgk - 1
Tests fail with clang 12
#13 opened by awvwgk - 2
Memory-demanding compilation
#7 opened by awvwgk - 8
- 1
fail to make test
#5 opened by seolhokim - 4
Saving a Molden file?
#2 opened by ghutchis - 3
Non-symmetric Hessian matrix
#3 opened by Jellby - 2