Gromacs
2020-beta1
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Classes | |
class | NormalModesTest |
Test fixture base for normal mode analysis. More... | |
Typedefs | |
using | MdpField = MdpFieldValues::value_type |
Helper type. | |
Variables | |
std::vector< std::string > | systemsToTest_g = { "scaled-water", "villin", "spc-dimer", "one-tip5p", "sw-dimer" } |
Containers of systems and integrators to test. | |
std::vector< std::string > | integratorsToTest_g = { "nm" } |