// will go away eventually.
const t_inputrec* ir = inputrec;
- int64_t step, step_rel;
double t, t0 = ir->init_t;
gmx_bool bGStatEveryStep, bGStat, bCalcVir, bCalcEnerStep, bCalcEner;
gmx_bool bNS = FALSE, bNStList, bStopCM, bFirstStep, bInitStep, bLastStep = FALSE;
bExchanged = FALSE;
bNeedRepartition = FALSE;
- step = ir->init_step;
- step_rel = 0;
+ int64_t step = ir->init_step;
+ int64_t step_rel = 0;
auto stopHandler = stopHandlerBuilder->getStopHandlerMD(
compat::not_null<SimulationSignal*>(&signals[eglsSTOPCOND]),
void gmx::LegacySimulator::do_mimic()
{
const t_inputrec* ir = inputrec;
- int64_t step, step_rel;
double t;
bool isLastStep = false;
bool doFreeEnergyPerturbation = false;
"MiMiC does not report kinetic energy, total energy, temperature, virial and "
"pressure.");
- step = ir->init_step;
- step_rel = 0;
+ int64_t step = ir->init_step;
+ int64_t step_rel = 0;
auto stopHandler = stopHandlerBuilder->getStopHandlerMD(
compat::not_null<SimulationSignal*>(&signals[eglsSTOPCOND]),
// t_inputrec is being replaced by IMdpOptionsProvider, so this
// will go away eventually.
const t_inputrec* ir = inputrec;
- int64_t step, step_rel;
double t;
bool isLastStep = false;
bool doFreeEnergyPerturbation = false;
calc_shifts(rerun_fr.box, fr->shift_vec);
}
- step = ir->init_step;
- step_rel = 0;
+ int64_t step = ir->init_step;
+ int64_t step_rel = 0;
auto stopHandler = stopHandlerBuilder->getStopHandlerMD(
compat::not_null<SimulationSignal*>(&signals[eglsSTOPCOND]),