From 82a8abcddd62838bfcd06b6081042caf4d385a88 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Wed, 13 Jul 2016 21:37:13 +0000 Subject: [PATCH] Seems that the bugs are fixed. Pegs are self avoidant now --- src/general.h | 62 +++++++++++++++++++++++++++++-- 1 files changed, 58 insertions(+), 4 deletions(-) diff --git a/src/general.h b/src/general.h index e47ef1c..4eab674 100644 --- a/src/general.h +++ b/src/general.h @@ -1,8 +1,10 @@ +/* vim: set ts=4 sts=4 sw=4 noet : */ #ifndef _GENERAL_H #define _GENERAL_H #include<stdarg.h> #include<stdio.h> +#include<gsl/gsl_complex.h> /* @brief This is a header file, defining general constants and structures. * @file header.h * @author Samo Penic @@ -222,6 +224,7 @@ typedef struct { ts_uint l; ts_double **ulm; + gsl_complex **ulmComplex; ts_double **sumUlm2; ts_uint N; ts_double **co; @@ -247,6 +250,44 @@ +typedef struct { + long int nshell; + long int ncxmax; + long int ncymax; + long int nczmax; + long int npoly; + long int nmono; + long int internal_poly; + long int nfil; + long int nfono; + long int R_nucleus; + ts_double R_nucleusX; + ts_double R_nucleusY; + ts_double R_nucleusZ; + long int pswitch; + long int constvolswitch; + long int constareaswitch; + ts_double constvolprecision; + char *multiprocessing; + long int brezveze0; + long int brezveze1; + long int brezveze2; + ts_double xk0; + ts_double dmax; + ts_double dmin_interspecies; + ts_double stepsize; + ts_double kspring; + ts_double xi; + ts_double pressure; + long int iterations; + long int inititer; + long int mcsweeps; + long int quiet; + long int shc; +} ts_tape; + + + typedef struct { ts_vertex_list *vlist; @@ -268,9 +309,13 @@ ts_double spring_constant; ts_double pressure; ts_int pswitch; - + ts_tape *tape; ts_double R_nucleus; - + ts_double R_nucleusX; + ts_double R_nucleusY; + ts_double R_nucleusZ; + ts_double nucleus_center[3]; + ts_double area; } ts_vesicle; @@ -278,8 +323,10 @@ /* GLOBAL VARIABLES */ int quiet; - - +ts_double V0; +ts_double A0; +ts_double epsvol; +ts_double epsarea; /* FUNCTIONS */ /** Non-fatal error function handler: @@ -300,4 +347,11 @@ #define VTX(n) &(vlist->vtx[n]) #define VTX_DATA(n) vlist->vtx[n].data + +/* FOR PID GENERATION ROUTINE */ +#define CPF_CLOEXEC 1 + +int createPidFile(const char *progName, const char *pidFile, int flags); + +int lockRegion(int fd, int type, int whence, int start, int len); #endif -- Gitblit v1.9.3