issues
search
HopkinsLaboratory
/
MobCal-MPI
Parallelization of the commonly used MobCal suite to calculate ion mobilities and collision cross sections
GNU General Public License v3.0
11
stars
6
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Inconsistency in calculating the CCS of C60+ in He and N2
#11
CorentinRossi
opened
2 months ago
3
Orca 6 and scripts
#9
steto123
opened
4 months ago
3
Problem running MobCal
#8
steto123
closed
5 months ago
2
.mout location
#7
jbarrozom
closed
5 months ago
1
Patched main.py to correctly use ESP charges when making .mfj inputs
#6
ChristianIeritano
closed
1 year ago
0
mobcal.run list-directed I/O syntax error, unit 9
#5
fschiro
closed
1 year ago
2
Encountered error opening sdf2xyz with subprocess
#4
fschiro
closed
1 year ago
2
Compilation of MobCal-MPI with GCC instead of Intel compilers
#2
ChristianIeritano
closed
1 year ago
0
Potential issue using optimization flags when compiling MobCal-MPI
#1
ChristianIeritano
closed
3 years ago
2