Conclusion:
1) Setting PressureCalc in rerun to false without any hard-coding saves some time
2) After commenting out line 80 of CalcEnergy.cpp if PressureCalc=true, pressures are still printed in the console. I wonder why is that!
3) If PressureCalc=false, real saving happens
run 50 with PressureCalc true 1000 = > 1m1.519s (pres, e: 1.33972732e+02, 9.62116495e+04)
rerun 50 with PressureCalc true 1 => 0m9.822s (pres, e: 1.33972733e+02, 9.62116505e+04) rerun 50 with PressureCalc false => 0m6.623s (pres, e: NA, 9.62116505e+04)
After commenting out line 80 of CalcEnergy.cpp: pot.boxVirial[b] = ForceCalc(b);
rerun 50 with PressureCalc true 1 => 0m6.773s (pres, e: 1.33972733e+02, 9.62116505e+04) rerun 50 with PressureCalc false => 0m3.767s (pres, e: NA, 9.62116505e+04)
Conclusion: 1) Setting PressureCalc in rerun to false without any hard-coding saves some time
2) After commenting out line 80 of CalcEnergy.cpp if PressureCalc=true, pressures are still printed in the console. I wonder why is that! 3) If PressureCalc=false, real saving happens