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GOMC-WSU
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GOMC
GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems
https://gomc-wsu.org
MIT License
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Cleanup openmp commands.
#480
YounesN
closed
1 year ago
0
GOMC NVT and NPT simulations halt with error if two boxes are specified
#479
jpotoff
opened
1 year ago
1
Make NAMD_write more robust and informative on write errors
#478
LSchwiebert
closed
1 year ago
0
Downloading main GOMC repo has merged header columns
#477
bc118
opened
1 year ago
1
Update to BoxForceGPU function that was optimized during the hackathon
#476
LSchwiebert
closed
1 year ago
0
DCD writer gives minimal information on a write error
#475
LSchwiebert
closed
1 year ago
0
Revert the sloppy intraBonded PR
#474
GregorySchwing
closed
1 year ago
2
Running IntraBond energy not being maintained in some cases
#473
LSchwiebert
closed
1 year ago
0
update manual to 2.76
#472
GregorySchwing
closed
1 year ago
0
update manual
#471
GregorySchwing
closed
1 year ago
0
Fix logic in ComparePotentials function
#470
LSchwiebert
closed
1 year ago
3
SystemPotential::ComparePotentials generates a compiler warning
#469
LSchwiebert
closed
1 year ago
0
Produce accurate completion time estimates for restarted simulations
#468
LSchwiebert
closed
1 year ago
1
Nan produced by Molecular Transfer near edge of box
#467
GregorySchwing
opened
1 year ago
7
shorten and eliminate most examples for testing integration scripts
#466
GregorySchwing
closed
1 year ago
0
Cleanup
#465
YounesN
closed
2 years ago
0
Fix #463: Simulations with Mie potential could produce NaNs and terminate
#464
LSchwiebert
closed
2 years ago
0
Mie potential seems to error out but works fine with the LJ version
#463
bc118
closed
2 years ago
10
Fix issue #461 Checkpoint Output suggestion is incorrect
#462
LSchwiebert
closed
2 years ago
0
Checkpoint issues/fixes just in log output suggestions
#461
bc118
closed
2 years ago
1
remove bad console entry and increase precision of console outputs to match block output
#460
GregorySchwing
closed
2 years ago
2
Shorten ENERGY_LRC name to fix issue #458
#459
LSchwiebert
closed
2 years ago
1
Main branch's blk output files are wrong, due to merged header titles.
#458
bc118
closed
2 years ago
1
Adds the CheckpointFreq option
#457
GregorySchwing
closed
2 years ago
1
Adds the CheckpointFreq option
#456
GregorySchwing
closed
2 years ago
0
Adds the CheckpointFreq option
#455
GregorySchwing
closed
2 years ago
0
Update ConfigSetup.cpp
#454
jpotoff
closed
2 years ago
0
Ambiguous result with Restart False, Checkpoint True
#453
jpotoff
closed
2 years ago
2
Update CMakeLists.txt
#452
jpotoff
closed
2 years ago
0
Update CMakeLists.txt
#451
jpotoff
closed
2 years ago
0
Version number incorrect in logfile of version 2.75a
#450
jpotoff
closed
2 years ago
1
fix tc
#449
GregorySchwing
closed
2 years ago
1
Development
#448
GregorySchwing
closed
2 years ago
0
Fix #445: Error message if specifying Chemical Potential and Fugacity
#447
GOMC-WSU
closed
2 years ago
0
change version and release date
#446
GregorySchwing
closed
2 years ago
0
GOMC should issue error if BOTH chemical potential and fugacity are specified
#445
jpotoff
closed
2 years ago
3
Fix Issue #442 Tail Corrections Description
#444
LSchwiebert
closed
2 years ago
2
Fix Issue #442: Rename Tail Corrections variable and output name
#443
LSchwiebert
closed
2 years ago
1
Change the energy output Tc variable to TC, Tail_Corr, or Tail_Correction.
#442
bc118
closed
2 years ago
1
Multiparticle move error:
#441
jpotoff
opened
2 years ago
6
Large systems fail in CUDA Kernels for fixable reasons
#440
GregorySchwing
opened
2 years ago
0
Bond, angle, dihedral energy is printed in the console output.
#439
GregorySchwing
closed
2 years ago
0
Cell List GPU is used by BM.
#438
GregorySchwing
closed
2 years ago
0
Single Molecule Displacement and Rotation Transform Kernels
#437
GregorySchwing
closed
2 years ago
0
Single MolInter Kernel Passes test
#436
GregorySchwing
closed
2 years ago
0
Fix Issue #434: If defined, use Brownian Motion MP moves with NeMT
#435
LSchwiebert
closed
2 years ago
0
NeMTMC move doesn't run Brownian Motion MultiParticle Moves
#434
LSchwiebert
closed
2 years ago
0
Hack
#433
GregorySchwing
closed
2 years ago
0
Add #include <stdint.h> to Endian.h
#432
GregorySchwing
closed
2 years ago
0
GOMC Release 2.75
#431
GOMC-WSU
closed
2 years ago
2
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