molecularEditor

goals

• rigid body optimization of layers and molecular crystals
• python interface
• some simple GUI (?)
• additionl interactions (first only radial, later bending and torsion)
• spline based interactions ( instead of LJ ) ... using R^2 instead of R for speed ?
• Acceleration using grid or hashmap

phase of dedeveloment

• integrate /home/prokop/Dropbox/MyDevSW/ctypes/molOptRigidElecSurfAccel to SimpleSimulationEngine
• test application on nanocrystal
• make it .so library and integrate with python using Ctypes

other:

========= Implementation & Dev consideration

• acceleration of short range interaction
• bufferGridPoint2PointAcceleration