Radahn is an interactive molecular dynamic application allowing users to steer their MD simulations and getting live feedback. The framework is currently build around LAMMPS as a simulation backend and will be extended to Gromacs in the future.
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Add anchors during minimization + fix atom id increment #39
Add anchors during the minimization when groups are declared.
Fix a bug where the atom IDS of anchor would increment for each run. This was due to a global variable which was supposed to be local.
Add anchors during the minimization when groups are declared. Fix a bug where the atom IDS of anchor would increment for each run. This was due to a global variable which was supposed to be local.