GOMC
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GOMC-WSU
GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems
This pull request creates a more efficient implementation of many of the overloaded operators for the XYZ class. It should run faster and is more readable. It is a cleaner...
**Describe the bug** Unless the total number of steps is evenly divisible by the Console Output Frequency, the final energy of the simulation will not be output. **To Reproduce** Adjust...
This is a major reworking of the build process and some related changes to the core non-functional parts of the GOMC repository. The changes include: 1. A major edit of...
**Describe the bug** GOMC does not build properly in GPU with CUDA 12.2. It looks like the "compute_35" needs removed from the base GOMC code for current and development versions....
Add some flair to console output. 
The following three features are what personally I would expect from GOMC. The main idea is from the way that Gomacs manages the restart of a simulation. 1. The restart...
**Is your feature request related to a problem? Please describe.** No. Things work correctly, but resolving this issue would upgrade the build process to generate more efficient code, make alternate...
**Is your feature request related to a problem? Please describe.** GOMC currently does not check that the PSF file contains all the required dihedrals. This results in a segfault if...
**Describe the bug** The header of "EN_TAIL_CORRECTIONEN_INTRA(B)" is merged together for the main GOMC repo download. This was fixed in version. So I'm not sure if it was not merged...
