From ca9f26089df29fec5995ed4f19a06c29f7f4b12e Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Thu, 28 Feb 2019 18:55:40 +0000 Subject: [PATCH] Plugin chains to speed up running of plugins, part 1. --- src/tape | 32 ++++++++++++++++++++++++++++---- 1 files changed, 28 insertions(+), 4 deletions(-) diff --git a/src/tape b/src/tape index 93e42d7..42e22ea 100644 --- a/src/tape +++ b/src/tape @@ -12,9 +12,9 @@ # 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=10.0 +pressure=-10.0 #Constant volume constraint (0 disable constant volume, 1 enable wiht additional vertex move, 2 enable with epsvol) constvolswitch=0 @@ -23,9 +23,14 @@ #Constant area constraint (0 disable constant area, 2 enable constant area with epsarea) constareaswitch=0 + +#Stretching +stretchswitch=1 +xkA0=1.0 + ####### Polymer (brush) definitions ########### # npoly is a number of polymers attached to npoly distinct vertices on vesicle -npoly=400 +npoly=0 # nmono is a number of monomers in each polymer nmono=10 # Spring constant between monomers of the polymer @@ -59,7 +64,7 @@ mcsweeps=200 #how many initial mcsweeps*inititer MC sweeps before recording to disk? #2 -inititer=1 +inititer=0 #how many records do you want on the disk iteration are there in a run? #10000 iterations=100 @@ -84,3 +89,22 @@ #max number of processes in distributed (voluntary) environment distributed_processes=50 #cuda options??? + + +#number of vertices with spontaneous curvature (integer) +number_of_vertices_with_c0=100 +#c0/2 is spontaneous curvature. c0 is used as (c1+c1-c0)^2 in energy term (float) +c0=0.5 +#energy of attraction of vertices with spontaneous curvature (float, positive value for attraction) +w=10.0 +#direct force on vesicles with spontaneous curvature (float) +F=2.0 + + + +#plane confinement +plane_confinement_switch=1 +#final plane distance (float in lmin) +plane_d=10 +#plane to vesicle repulsion force while closing +plane_F=10 -- Gitblit v1.9.3