Gromacs  2022.1
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tests Directory Reference
+ Directory dependency graph for tests:

Files

file  calc_verletbuf.cpp
 Tests for the Verlet buffer calculation algorithm.
 
file  calcvir.cpp
 Tests for virial calculation.
 
file  constr.cpp
 SHAKE and LINCS tests.
 
file  constrtestdata.cpp
 SHAKE and LINCS tests.
 
file  constrtestdata.h
 SHAKE and LINCS tests header.
 
file  constrtestrunners.cpp
 Function to run SHAKE and LINCS on CPU.
 
file  constrtestrunners.h
 SHAKE and LINCS tests runners.
 
file  constrtestrunners_gpu.cpp
 Subroutines to run LINCS on GPU.
 
file  ebin.cpp
 
file  energydrifttracker.cpp
 Tests for the EnergyDriftTacker class.
 
file  energyoutput.cpp
 Tests for energy output to log and .edr files.
 
file  expanded.cpp
 Tests for expanded ensemble.
 
file  freeenergyparameters.cpp
 Tests routines in freeenergyparameters.h .
 
file  leapfrog.cpp
 Tests for the Leap-Frog integrator.
 
file  leapfrogtestdata.cpp
 Defines the class to accumulate the data needed for the Leap-Frog integrator tests.
 
file  leapfrogtestdata.h
 Tests for the Leap-Frog integrator.
 
file  leapfrogtestrunners.cpp
 Runner for CPU-based implementation of the integrator.
 
file  leapfrogtestrunners.h
 Leap-Frog tests runners.
 
file  leapfrogtestrunners_gpu.cpp
 Runner for GPU version of the integrator.
 
file  settle.cpp
 Tests for SETTLE constraints.
 
file  settletestdata.cpp
 Defines the class that accumulates SETTLE test data.
 
file  settletestdata.h
 SETTLE tests header.
 
file  settletestrunners.cpp
 Defines the test runner for CPU version of SETTLE.
 
file  settletestrunners.h
 SETTLE tests runners.
 
file  settletestrunners_gpu.cpp
 Defines the runner for CUDA version of SETTLE.
 
file  shake.cpp
 
file  simulationsignal.cpp
 Tests for the mdrun signalling functionality.
 
file  updategroups.cpp
 Tests for the update groups functionality.
 
file  updategroupscog.cpp
 
file  watersystem.h
 
file  wholemoleculetransform.cpp
 Tests for the WholeMoleculeTransform class.