Releases: espressopp/espressopp
Releases · espressopp/espressopp
v3.1.0
v3.0.0
- implementing the basic half-cell idea
- HeSpaDDA updated the distribution of processors independent on the axis sequence X,Y,Z or Z,Y,X; among others
- add ability for RNG to restart from a prior state (#283)
- do potentialArray range check outside of force loop (#289)
- allow id >= 0 for the first particle in chain analysis (e.g. MSID) In older versions of ESPResSo++ (e.g. 1.95) only pid=0 for the first particle was allowed when using chain-analysis functions. Since version 2, only pid=1 was correct. Now the starting pid is a parameter. Default is starting pid=0 (like in older versions).
- Speedup Verlet list rebuild by copying neighbors into buffers (#292)
- Vectorization (#294)
- HeSpaDDA updated/faster the distribution of processors
- Migration to Python 3 (#311)
v2.0.2
ESPResSo++ 2.0.1
ESPResSo++ 2.0
upgrade to 1.9.5
Annual upgrade of the release version for the upcoming hands-on tutorial on ESPResSo++