From 62681163a4c47fc6dbd6b2b96f84171b20cba3ed Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Sat, 08 Mar 2014 16:43:55 +0000 Subject: [PATCH] continuation s working. now reset counter is needed --- src/general.h | 45 ++++++++++++++++++++++++++++++++++++--------- 1 files changed, 36 insertions(+), 9 deletions(-) diff --git a/src/general.h b/src/general.h index 5194460..8da1878 100644 --- a/src/general.h +++ b/src/general.h @@ -3,7 +3,6 @@ #include<stdarg.h> #include<stdio.h> - /* @brief This is a header file, defining general constants and structures. * @file header.h * @author Samo Penic @@ -164,12 +163,13 @@ } ts_vertex_list; struct ts_bond { - ts_uint idx; + ts_uint idx; ts_vertex *vtx1; ts_vertex *vtx2; ts_double bond_length; ts_double bond_length_dual; ts_bool tainted; + ts_double energy; }; typedef struct ts_bond ts_bond; @@ -230,6 +230,7 @@ ts_vertex_list *vlist; ts_bond_list *blist; ts_vertex *grafted_vtx; + ts_double k; }; typedef struct ts_poly ts_poly; @@ -247,19 +248,45 @@ ts_vertex_list *vlist; ts_bond_list *blist; ts_triangle_list *tlist; - ts_cell_list *clist; + ts_cell_list *clist; ts_uint nshell; - ts_double bending_rigidity; - ts_double dmax; - ts_double stepsize; - ts_double cm[3]; - ts_double volume; - ts_spharm *sphHarmonics; + ts_double bending_rigidity; + ts_double dmax; + ts_double stepsize; + ts_double cm[3]; + ts_double volume; + ts_spharm *sphHarmonics; + ts_poly_list *poly_list; + ts_double spring_constant; + ts_double pressure; + ts_int pswitch; } ts_vesicle; +typedef struct { + long int nshell; + long int ncxmax; + long int ncymax; + long int nczmax; + long int npoly; + long int nmono; + long int pswitch; + char *multiprocessing; + long int brezveze0; + long int brezveze1; + long int brezveze2; + ts_double xk0; + ts_double dmax; + ts_double stepsize; + ts_double kspring; + ts_double pressure; + long int iterations; + long int inititer; + long int mcsweeps; + long int quiet; +} ts_tape; /* GLOBAL VARIABLES */ -- Gitblit v1.9.3