Issues
- 1
GOMC should detect Forcefield files with duplicate dihedral definitions with the same periodicity
#529 opened by LSchwiebert - 3
Confusion Regarding Volume Transfer for GEMC
#528 opened by ruyeli - 0
- 0
Final Energy Output May be Omitted
#523 opened by LSchwiebert - 3
GOMC GPU binaries dp not build properly with CUDA 12.2
#522 opened by bc118 - 0
For GEMC simulations, allow the user to specify the boxes that are used for the MultiParticle move
#520 opened by LSchwiebert - 19
Error when I compile GOMC with the metamake.sh
#510 opened by qqlovekerry - 16
- 0
- 10
- 0
- 2
- 1
Restart flag should be removed
#500 opened by GregorySchwing - 2
- 0
- 0
Small Memory Leak with Get Current Directory
#493 opened by LSchwiebert - 1
Use standard library abs
#495 opened by LSchwiebert - 1
Better Error Checking of PSF Files
#491 opened by LSchwiebert - 1
Downloading main GOMC repo has merged header columns
#477 opened by bc118 - 9
- 0
MoleculeLookup::IsMoleculeInBox can return incorrrect value when molecule not in box
#486 opened by LSchwiebert - 0
Remove the extra spaces on the left before this headers (MTITLE:, ETITLE: , STITLE: ) fro the GOMC log file
#483 opened by bc118 - 1
- 6
Multiparticle move error:
#441 opened by jpotoff - 0
- 0
- 0
- 0
The printout until the simulation is complete is not calculating correcty is set and InitStep !=0
#427 opened by bc118 - 7
- 10
- 1
- 2
Ambiguous result with Restart False, Checkpoint True
#453 opened by jpotoff - 1
Checkpoint issues/fixes just in log output suggestions
#461 opened by bc118 - 4
- 1
- 3
- 1
- 1
Version number incorrect in logfile of version 2.75a
#450 opened by jpotoff - 0
- 0
- 4
IntraMEMC Acceptance calculation
#425 opened by msoroush - 5
Checkpoint fails GOMC to start if a file name or something is not provided, when checkpoint is false
#421 opened by bc118 - 8
- 3
If printing console data every step, GOMC falsely prints the initial energy 2x, with the 2nd being the 1st step
#414 opened by bc118 - 1
- 1
CUDA Memory Manager gives spurious warning with multiple allocations of zero bytes
#401 opened by LSchwiebert - 1
- 0
Print Error message and terminate if Angles/Dihedrals are missing from PSF
#404 opened by GregorySchwing - 0
- 0
Make box wrap reversible to original coordinates and support molecules with length > 1/2 box length
#399 opened by GregorySchwing