| commit | author | age | ||
| a6b1b5 | 1 | ####### Vesicle definitions ########### |
| SP | 2 | # nshell is a number of divisions of dipyramid |
| 301c87 | 3 | nshell=17 |
| e86357 | 4 | # dmax is the max. bond length (in units l_min) |
| 304510 | 5 | dmax=1.7 |
| ea1cce | 6 | # dmin_interspecies in the min. dist. between different vertex species (in units l_min) |
| fe24d2 | 7 | dmin_interspecies=1.2 |
| e86357 | 8 | # bending rigidity of the membrane (in units kT) |
| 2dcc65 | 9 | xk0=10.0 |
| e86357 | 10 | # max step size (in units l_min) |
| a6b1b5 | 11 | stepsize=0.15 |
| e86357 | 12 | |
| M | 13 | # Pressure calculations |
| 14 | # (pswitch=1: calc. p*dV energy contribution) | |
| 37791b | 15 | pswitch = 1 |
| 2dcc65 | 16 | # pressure difference: p_inside - p_outside (in units kT/l_min^3): |
| 37791b | 17 | pressure=-10.0 |
| a6b1b5 | 18 | |
| 267433 | 19 | #Constant volume constraint (0 disable constant volume, 1 enable wiht additional vertex move, 2 enable with epsvol) |
| 37791b | 20 | constvolswitch=0 |
| dd5aca | 21 | constvolprecision=1e-14 |
| 9166cb | 22 | |
| c0ae90 | 23 | #Constant area constraint (0 disable constant area, 2 enable constant area with epsarea) |
| SP | 24 | constareaswitch=2 |
| 9166cb | 25 | |
| 624f81 | 26 | ####### Polymer (brush) definitions ########### |
| a2db52 | 27 | # npoly is a number of polymers attached to npoly distinct vertices on vesicle |
| 301c87 | 28 | npoly=3 |
| 48bb92 | 29 | # nmono is a number of monomers in each polymer |
| f8e6ba | 30 | nmono=10 |
| 48bb92 | 31 | # Spring constant between monomers of the polymer |
| M | 32 | k_spring=800 |
| a6b1b5 | 33 | |
| 624f81 | 34 | ####### Filament (inside the vesicle) definitions ########### |
| 58230a | 35 | # nfil is a number of filaments inside the vesicle |
| 301c87 | 36 | nfil=2 |
| 58230a | 37 | # nfono is a number of monomers in each filament |
| 402e8f | 38 | nfono=300 |
| b30f45 | 39 | # Persistence lenght of the filaments (in units l_min) |
| 611412 | 40 | xi=0 |
| 58230a | 41 | |
| M | 42 | ####### Nucleus (inside the vesicle) ########### |
| 43 | # Radius of an impenetrable hard sphere inside the vesicle | |
| f06f5f | 44 | R_nucleus=0 |
| 37791b | 45 | R_nucleusX=2.0 |
| SP | 46 | R_nucleusY=6.0 |
| 47 | R_nucleusZ=2.0 | |
| a6b1b5 | 48 | ####### Cell definitions ############ |
| SP | 49 | nxmax=60 |
| 50 | nymax=60 | |
| 51 | nzmax=60 | |
| 52 | ||
| 53 | ||
| 54 | ####### Program Control ############ | |
| d7a113 | 55 | #how many MC sweeps between subsequent records of states to disk |
| a5e543 | 56 | #200000 |
| 301c87 | 57 | mcsweeps=20 |
| d7a113 | 58 | #how many initial mcsweeps*inititer MC sweeps before recording to disk? |
| a5e543 | 59 | #2 |
| 5a3862 | 60 | inititer=0 |
| d7a113 | 61 | #how many records do you want on the disk iteration are there in a run? |
| a5e543 | 62 | #10000 |
| M | 63 | iterations=100 |
| d7a113 | 64 | |
| a6b1b5 | 65 | |
| dc77e8 | 66 | ###### Spherical harmonics ########### |
| 5a3862 | 67 | # If 0 then spherical harmonics are not calculated at all. |
| c60a49 | 68 | spherical_harmonics_coefficients=21 |
| dc77e8 | 69 | |
| a6b1b5 | 70 | #shut up if we are using cluster!!! |
| SP | 71 | quiet=false |
| f74313 | 72 | |
| SP | 73 | #what type of multiprocessing? (*none, smp, cluster, distributed, cuda, auto) |
| 74 | #currently only none makes sense. | |
| 75 | multiprocessing=none | |
| 76 | #how many cores are allowed to process in SMP? | |
| 77 | smp_cores=2 | |
| 78 | #how many nodes in cluster? | |
| 79 | cluster_nodes=50 | |
| 80 | #max number of processes in distributed (voluntary) environment | |
| 81 | distributed_processes=50 | |
| 82 | #cuda options??? | |
