C++ (Cpp) useStringAsMdpFile示例

示例#1

文件： moduletest.cpp 项目： wangxubo0201/gromacs

void
SimulationRunner::useStringAsMdpFile(const char *mdpString)
{
    useStringAsMdpFile(std::string(mdpString));
}

示例#2

文件： moduletest.cpp 项目： dkarkoulis/gromacs

void
MdrunTestFixture::useStringAsMdpFile(const char *mdpString)
{
    useStringAsMdpFile(std::string(mdpString));
}

示例#3

文件： moduletest.cpp 项目： wangxubo0201/gromacs

// TODO The combination of defaulting to Verlet cut-off scheme, NVE,
// and verlet-buffer-tolerance = -1 gives a grompp error. If we keep
// things that way, this function should be renamed. For now,
// force the use of the group scheme.
void
SimulationRunner::useEmptyMdpFile()
{
    // TODO When removing the group scheme, update actual and potential users of useEmptyMdpFile
    useStringAsMdpFile("cutoff-scheme = Group\n");
}

示例#4

文件： moduletest.cpp 项目： dkarkoulis/gromacs

// TODO The combination of defaulting to Verlet cut-off scheme, NVE,
// and verlet-buffer-tolerance = -1 gives a grompp error. If we keep
// things that way, this function should be renamed. For now,
// force the use of the group scheme.
void
MdrunTestFixture::useEmptyMdpFile()
{
    useStringAsMdpFile("cutoff-scheme = Group\n");
}