Gromacs
2020.4
|
Files | |
file | calc_verletbuf.cpp |
Tests for the Verlet buffer calculation algorithm. | |
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 header. | |
file | ebin.cpp |
file | energyoutput.cpp |
Tests for energy output to log and .edr files. | |
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 |
Declaration of interfaces to run various implementations of integrator (runners) | |
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 |
Declaration of the SETTLE tests runners. | |
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 |