std::string nstcomm = "5";
std::vector<PropagationParameters> parameterSets;
- for (const std::string& simulationName : { "argon12" })
+ std::vector<std::string> simulations = { "argon12" };
+ for (const std::string& simulationName : simulations)
{
- for (const std::string& integrator : { "md", "sd", "md-vv" })
+ std::vector<std::string> integrators{ "md", "sd", "md-vv" };
+ for (const std::string& integrator : integrators)
{
- for (const std::string& tcoupl : { "no", "v-rescale", "Nose-Hoover" })
+ std::vector<std::string> tcouplValues{ "no", "v-rescale", "Nose-Hoover" };
+ for (const std::string& tcoupl : tcouplValues)
{
// SD doesn't support temperature-coupling algorithms,
if (integrator == "sd" && tcoupl != "no")
std::string nstcomm = "5";
std::vector<PropagationParameters> parameterSets;
- for (const std::string& simulationName : { "tip3p5" })
+ std::vector<std::string> simulations = { "tip3p5" };
+ for (const std::string& simulationName : simulations)
{
- for (const std::string& integrator : { "md", "sd", "md-vv" })
+ std::vector<std::string> integrators{ "md", "sd", "md-vv" };
+ for (const std::string& integrator : integrators)
{
- for (const std::string& tcoupl : { "no", "v-rescale" })
+ std::vector<std::string> tcouplValues{ "no", "v-rescale" };
+ for (const std::string& tcoupl : tcouplValues)
{
// SD doesn't support temperature-coupling algorithms,
if (integrator == "sd" && tcoupl != "no")