GOMC-WSU / 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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NeMTMC move doesn't run Brownian Motion MultiParticle Moves #434

Closed LSchwiebert closed 2 years ago

LSchwiebert commented 2 years ago

Describe the bug

The flags are not set correctly, so if Brownian Motion MP instead of Force-based MP is used, then the BM moves are not used. It proceeds as if no multiparticle moves are defined.

To Reproduce

Run with NeMT moves on and BM MP moves on.

Expected behavior

The system should use BM MP moves when the system is defined to do so.

Screenshots

N/A

Input files

Any config file that uses these two moves can reproduce.

Please complete the following information:

Additional context

N/A