From d5d78a49c6b51fb1f6f0661d063034eaf65e02f7 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Wed, 25 Sep 2019 09:20:36 +0000
Subject: [PATCH] Constant volume and constant area fix. Removed spherical harmonics calculations in simulations. No ulm2.cvs and state.dat files are produced anymore
---
src/general.h | 49 +++++++++++++++++++++++++++++++++++++++++++++----
1 files changed, 45 insertions(+), 4 deletions(-)
diff --git a/src/general.h b/src/general.h
index 547680e..2dd63d8 100644
--- a/src/general.h
+++ b/src/general.h
@@ -156,7 +156,8 @@
ts_double projArea;
ts_double relR;
ts_double solAngle;
- struct ts_poly *grafted_poly;
+ struct ts_poly *grafted_poly;
+ struct ts_cluster *cluster;
};
typedef struct ts_vertex ts_vertex;
@@ -194,11 +195,13 @@
ts_double znorm;
ts_double area; // firstly needed for sh.c
ts_double volume; // firstly needed for sh.c
+ ts_double energy;
};
typedef struct ts_triangle ts_triangle;
struct ts_triangle_list{
ts_uint n;
+ ts_double a0;
ts_triangle **tria;
};
typedef struct ts_triangle_list ts_triangle_list;
@@ -216,7 +219,7 @@
ts_cell **cell;
ts_double dcell;
ts_double shift;
- ts_double max_occupancy;
+ ts_uint max_occupancy;
ts_double dmin_interspecies;
} ts_cell_list;
@@ -249,6 +252,11 @@
typedef struct ts_poly_list ts_poly_list;
+typedef struct{
+ ts_float z_max;
+ ts_float z_min;
+ ts_int force_switch;
+} ts_confinement_plane;
typedef struct {
long int nshell;
@@ -257,12 +265,18 @@
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;
+ long int stretchswitch;
+ ts_double xkA0;
ts_double constvolprecision;
char *multiprocessing;
long int brezveze0;
@@ -280,6 +294,13 @@
long int mcsweeps;
long int quiet;
long int shc;
+ long int number_of_vertices_with_c0;
+ ts_double c0;
+ ts_double w;
+ ts_double F;
+ long int plane_confinement_switch;
+ ts_double plane_d;
+ ts_double plane_F;
} ts_tape;
@@ -305,11 +326,30 @@
ts_double spring_constant;
ts_double pressure;
ts_int pswitch;
- ts_tape *tape;
+ ts_tape *tape;
ts_double R_nucleus;
- ts_double area;
+ ts_double R_nucleusX;
+ ts_double R_nucleusY;
+ ts_double R_nucleusZ;
+ ts_double nucleus_center[3];
+ ts_double area;
+ ts_confinement_plane confinement_plane;
} ts_vesicle;
+
+
+struct ts_cluster{
+ ts_uint nvtx;
+ ts_uint idx;
+ ts_vertex **vtx;
+};
+
+typedef struct ts_cluster ts_cluster;
+
+typedef struct{
+ ts_uint n;
+ ts_cluster **cluster;
+} ts_cluster_list;
/* GLOBAL VARIABLES */
@@ -346,4 +386,5 @@
int createPidFile(const char *progName, const char *pidFile, int flags);
int lockRegion(int fd, int type, int whence, int start, int len);
+char *libVersion();
#endif
--
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