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Added functions to calculate the minimal distance between two sets of atoms
or between the center of mass of one set and the atoms in the other set. This function was added in geom::vecmat3_op and then on the CoordFrame and trajectory_analysis level.
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- modules/geom/doc/composite.rst 14 additions, 1 deletionmodules/geom/doc/composite.rst
- modules/geom/src/fnc.hh 2 additions, 1 deletionmodules/geom/src/fnc.hh
- modules/geom/src/vecmat3_op.cc 15 additions, 0 deletionsmodules/geom/src/vecmat3_op.cc
- modules/geom/src/vecmat3_op.hh 3 additions, 0 deletionsmodules/geom/src/vecmat3_op.hh
- modules/geom/tests/test_op3.cc 14 additions, 0 deletionsmodules/geom/tests/test_op3.cc
- modules/mol/alg/doc/molalg.rst 41 additions, 1 deletionmodules/mol/alg/doc/molalg.rst
- modules/mol/alg/pymod/export_trajectory_analysis.cc 3 additions, 0 deletionsmodules/mol/alg/pymod/export_trajectory_analysis.cc
- modules/mol/alg/src/trajectory_analysis.cc 83 additions, 7 deletionsmodules/mol/alg/src/trajectory_analysis.cc
- modules/mol/alg/src/trajectory_analysis.hh 3 additions, 2 deletionsmodules/mol/alg/src/trajectory_analysis.hh
- modules/mol/base/pymod/export_coord_frame.cc 2 additions, 1 deletionmodules/mol/base/pymod/export_coord_frame.cc
- modules/mol/base/src/coord_frame.cc 40 additions, 1 deletionmodules/mol/base/src/coord_frame.cc
- modules/mol/base/src/coord_frame.hh 6 additions, 1 deletionmodules/mol/base/src/coord_frame.hh
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