jonqdoe/read-lammpstrj
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c++ implementation of read_lammpstrj 10/28/2020 R. Riggleman This code uses classes (strings/vectors) to read in a lammpstrj file. It is more general than previous implementations in that it can deal with arbitrary ordering of columns and data other than "x", "y", "z". It assumes that id, type, mol, x, y, z, if present, will all come as the first six columns, and that any computes will follow the z coordinate. To do: - in pbc_utils.cpp, add routines that i) connect molecules across the PBCs ii) connect particle trajectories in tim - include the neighborlist functionality - include particle-to-mesh functionality