Zhen-Hao Xu
Zhen-Hao Xu
1 - Lees Edwards boundary condition (LE-integrator, domain decomposition) 2 - ScaFaCoS requires to download an external library 3 - Ewald: now possible to calculate forces with triclinic periodic system...
Finally, I found where is the problem and I am now doing validating runs. Then, it will come up with the later commits. Update: Now I get it run but...
Ln 82 in ./examples/polymer_melt/polymer_melt.py theta0 is NOT one pi but should be set back to its default value '0'. Unsure whether wrong equilibrium angles are chosen and used in other...
Just leave some remarks: 1. The coulombic prefactor (e.g. vacuum permitivity) is not included in both computeVirial and computeVirialTensor. If users call espressopp.analysis.PressureTensor(system), for example, they will get a sum...