issues
search
aspuru-guzik-group
/
xtb-gaussian
A wrapper to run xtb inside Gaussian.
MIT License
17
stars
8
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
size limit to Hessian calculations?
#4
natedey
opened
2 years ago
3
xtb frequency and gaussian frequency
#3
MiloCheng17
opened
2 years ago
1
running with system with multiplicity!=1
#2
MiloCheng17
closed
2 years ago
0
help for ONIOM
#1
arescifina
opened
2 years ago
2