Gromacs
2025-dev-20240516-46ce888
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Files | |
file | exclusions.cpp |
Tests for exclusions in the Nbnxm CPU pairlists. | |
file | kernel_test.cpp |
Tests for NBNxM pair kernel forces and energies. | |
file | kernelsetup.cpp |
Tests for Setup of kernels. | |
file | simd_energy_accumulator.cpp |
Tests for the EnergyAccumulator class. | |
file | spc27_coords.h |
This file defines a box with 27 SPC/E water molecules, 81 atoms, for use in tests. | |