From 555fd8b3ff5c121d9faff1000d664fc653c912bf Mon Sep 17 00:00:00 2001 From: mihaf <miha.fosnaric@gmail.com> Date: Wed, 02 Apr 2014 09:43:19 +0000 Subject: [PATCH] In cell.c changed comparison between vertices in a cell from idx to pointer (to avoid bug that two distinct vertices with same idx are not checked for proximity). --- src/general.h | 10 +++++++--- 1 files changed, 7 insertions(+), 3 deletions(-) diff --git a/src/general.h b/src/general.h index 26e8b55..e47ef1c 100644 --- a/src/general.h +++ b/src/general.h @@ -48,6 +48,8 @@ /* CONSTANTS */ +#define TS_ID_FILAMENT 1 + /* DATA TYPES */ /** @brief Sets the default datatype for ts_double * @@ -166,10 +168,11 @@ ts_uint idx; ts_vertex *vtx1; ts_vertex *vtx2; - ts_double bond_length; - ts_double bond_length_dual; - ts_bool tainted; + ts_double bond_length; + ts_double bond_length_dual; + ts_bool tainted; //TODO: remove ts_double energy; + ts_double x,y,z; }; typedef struct ts_bond ts_bond; @@ -212,6 +215,7 @@ ts_double dcell; ts_double shift; ts_double max_occupancy; + ts_double dmin_interspecies; } ts_cell_list; -- Gitblit v1.9.3