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gmx::test::anonymous_namespace{settle.cpp}::SettleTestParameters Struct Reference


Parameters that will vary from test to test.

Public Attributes

int numSettles
 Number of water molecules (SETTLEs) [1, 2, 4, 5, 7, 10, 12, 15, 17].
bool updateVelocities
 If the velocities should be updated while constraining [true/false].
bool calcVirial
 If the virial should be computed [true/false].
std::string pbcName
 Periodic boundary conditions [PBCXYZ/PBCNone].

The documentation for this struct was generated from the following file: