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Gromacs
2026.0-dev-20251119-5f0a571d
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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 | langevin.cpp |
| Tests for the Leap-Frog integrator. | |
| file | langevintestdata.cpp |
| Defines the class to accumulate the data needed for the Langevin integrator tests. | |
| file | langevintestdata.h |
| Tests for the Langevin integrator. | |
| file | langevintestrunners.cpp |
| Runner for CPU-based implementation of the Langevin integrator. | |
| file | langevintestrunners.h |
| Langevin tests runners. | |
| 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 | mdgpugraph.cpp |
| Tests for MD GPU graph. | |
| file | parrinellorahman.cpp |
| 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. | |
1.8.5