Merge pull request #1120 from pmla/polyhedral-template-matching
Added compute for Polyhedral Template Matching
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- .github/CODEOWNERS 1 addition, 0 deletions.github/CODEOWNERS
- cmake/CMakeLists.txt 7 additions, 6 deletionscmake/CMakeLists.txt
- doc/src/Commands_compute.txt 1 addition, 0 deletionsdoc/src/Commands_compute.txt
- doc/src/Eqs/ptm_rmsd.jpg 0 additions, 0 deletionsdoc/src/Eqs/ptm_rmsd.jpg
- doc/src/Eqs/ptm_rmsd.tex 21 additions, 0 deletionsdoc/src/Eqs/ptm_rmsd.tex
- doc/src/Packages_details.txt 20 additions, 0 deletionsdoc/src/Packages_details.txt
- doc/src/Packages_user.txt 1 addition, 0 deletionsdoc/src/Packages_user.txt
- doc/src/compute_ptm_atom.txt 121 additions, 0 deletionsdoc/src/compute_ptm_atom.txt
- doc/src/computes.txt 1 addition, 0 deletionsdoc/src/computes.txt
- doc/src/lammps.book 1 addition, 0 deletionsdoc/src/lammps.book
- src/.gitignore 5 additions, 0 deletionssrc/.gitignore
- src/Makefile 1 addition, 1 deletionsrc/Makefile
- src/USER-PTM/LICENSE 7 additions, 0 deletionssrc/USER-PTM/LICENSE
- src/USER-PTM/compute_ptm_atom.cpp 307 additions, 0 deletionssrc/USER-PTM/compute_ptm_atom.cpp
- src/USER-PTM/compute_ptm_atom.h 48 additions, 0 deletionssrc/USER-PTM/compute_ptm_atom.h
- src/USER-PTM/ptm_alloy_types.cpp 104 additions, 0 deletionssrc/USER-PTM/ptm_alloy_types.cpp
- src/USER-PTM/ptm_alloy_types.h 13 additions, 0 deletionssrc/USER-PTM/ptm_alloy_types.h
- src/USER-PTM/ptm_canonical_coloured.cpp 170 additions, 0 deletionssrc/USER-PTM/ptm_canonical_coloured.cpp
- src/USER-PTM/ptm_canonical_coloured.h 12 additions, 0 deletionssrc/USER-PTM/ptm_canonical_coloured.h
- src/USER-PTM/ptm_constants.h 174 additions, 0 deletionssrc/USER-PTM/ptm_constants.h
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