From 1ab449a2d9d4433794736566014f5c311d5a9317 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Sat, 08 Mar 2014 16:33:08 +0000
Subject: [PATCH] tape fixed, output has additional timestamp, ncurrent iteration is dumped and reread, but simulation is not restarted at correct time
---
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 */
--
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