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 | 15 ++++++++++++---
1 files changed, 12 insertions(+), 3 deletions(-)
diff --git a/src/general.h b/src/general.h
index 7676000..2dd63d8 100644
--- a/src/general.h
+++ b/src/general.h
@@ -219,7 +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;
@@ -252,6 +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;
@@ -293,6 +298,9 @@
ts_double c0;
ts_double w;
ts_double F;
+ long int plane_confinement_switch;
+ ts_double plane_d;
+ ts_double plane_F;
} ts_tape;
@@ -318,13 +326,14 @@
ts_double spring_constant;
ts_double pressure;
ts_int pswitch;
- ts_tape *tape;
+ 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_double area;
+ ts_confinement_plane confinement_plane;
} ts_vesicle;
--
Gitblit v1.9.3