| | |
| | | |
| | | # Pressure calculations |
| | | # (pswitch=1: calc. p*dV energy contribution) |
| | | pswitch = 0 |
| | | pswitch = 1 |
| | | # pressure difference: p_inside - p_outside (in units kT/l_min^3): |
| | | pressure=0.0 |
| | | pressure=1.0 |
| | | |
| | | #Constant volume constraint (0 disable constant volume, 1 enable) |
| | | constvolswitch=0 |
| | |
| | | |
| | | ####### Program Control ############ |
| | | #how many MC sweeps between subsequent records of states to disk |
| | | mcsweeps=250 |
| | | mcsweeps=2000 |
| | | #how many initial mcsweeps*inititer MC sweeps before recording to disk? |
| | | inititer=0 |
| | | #how many records do you want on the disk iteration are there in a run? |
| | |
| | | |
| | | |
| | | ###### Spherical harmonics ########### |
| | | # If 0 then spherical harmonics are not calculated at all. |
| | | spherical_harmonics_coefficients=21 |
| | | |
| | | #shut up if we are using cluster!!! |