GPU-Accelerated Large-Scale Molecular Simulation Toolkit
Station: News

New features

1. Fix a bug of Polymerization when it is used with DePolymerization together
2. Support the compilation of source code under Ubuntu system
3. Support the compilation of source code for 32 bits Linux
4. Enable the output of the force, energy, and virial of each particle for selected force module in XML file
5. Further optimization of ENUF method for long-range electrostatics
6. Redefine shift Lennard-Jones method, please see manual
7. Add a reaction rule for Polymerization (judgment of reaction by energy charge if the two particles bonded)
8. Set mass to be 1.0 when no mass input from XML file for the calculation of radius gyration by galaTackle
9. Correct the dump information at first time step