GPU-Accelerated Large-Scale Molecular Simulation Toolkit
Station: News
New Features
1. Generalized Exponential Models (GEM) potential is incorporated.
2. A linear pi-pi interaction is incorporated.
3. "ZeroMomentum" method could consider rigid body automatically.
4. GalaTackle could calculate dynamic structure factor, see the description in documentation.
5. GalaTackle could calculate MSD in separated directions.
6. GalaTackle has help function by inputing "function number:h".
7. Molgen could avoid the generation of molecules inside bodies by body evaculation function.
8. Source code could be compiled by new gcc compiler.
9. For arch operation system, please enable the code of 303 line in "galamost-3.1.1\lib_code\particles\"
   file to fix an error of ParticleSet combine function.