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

Description

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].

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

• src/gromacs/mdlib/tests/settle.cpp