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pbcutil Directory Reference
+ Directory dependency graph for pbcutil:

Directories

directory  tests
 

Files

file  boxutilities.cpp
 
file  boxutilities.h
 
file  com.cpp
 
file  com.h
 Helper methods to place particle COM in boxes.
 
file  ishift.h
 
file  mshift.cpp
 
file  mshift.h
 
file  pbc.cpp
 
file  pbc.h
 
file  pbc_aiuc.h
 Structure and basic routines to handle periodic boundary conditions.
 
file  pbc_aiuc_sycl.h
 Basic routines to handle periodic boundary conditions with SYCL.
 
file  pbc_simd.cpp
 
file  pbc_simd.h
 This file contains a definition, declaration and inline function for SIMD accelerated PBC calculations.
 
file  pbcenums.cpp
 
file  pbcenums.h
 Defines enum classes for centering and unit cell types.
 
file  pbcmethods.cpp
 
file  pbcmethods.h
 
file  rmpbc.cpp
 
file  rmpbc.h