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HopkinsLaboratory
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MobCal-MPI
Parallelization of the commonly used MobCal suite to calculate ion mobilities and collision cross sections
GNU General Public License v3.0
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Inconsistency in calculating the CCS of C60+ in He and N2
#11
CorentinRossi
opened
4 weeks ago
3
Orca 6 and scripts
#9
steto123
opened
2 months ago
3
Problem running MobCal
#8
steto123
closed
4 months ago
2
.mout location
#7
jbarrozom
closed
4 months ago
1
Patched main.py to correctly use ESP charges when making .mfj inputs
#6
ChristianIeritano
closed
11 months 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
12 months ago
0
Potential issue using optimization flags when compiling MobCal-MPI
#1
ChristianIeritano
closed
3 years ago
2