From d7a113d890064e18aa9f4267c33ac71348c6ba98 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Mon, 04 Nov 2013 21:54:22 +0000 Subject: [PATCH] Changes in main loop. It allows setting inner, outer loop and initial mc sweeps to be discarded --- src/general.h | 4 ++++ 1 files changed, 4 insertions(+), 0 deletions(-) diff --git a/src/general.h b/src/general.h index 1a90e97..f3328f6 100644 --- a/src/general.h +++ b/src/general.h @@ -169,6 +169,7 @@ ts_vertex *vtx2; ts_double bond_length; ts_double bond_length_dual; + ts_bool tainted; }; typedef struct ts_bond ts_bond; @@ -187,6 +188,7 @@ ts_double ynorm; ts_double znorm; ts_double area; // firstly needed for sh.c + ts_double volume; // firstly needed for sh.c }; typedef struct ts_triangle ts_triangle; @@ -216,6 +218,8 @@ typedef struct { ts_uint l; ts_double **ulm; + ts_double **sumUlm2; + ts_uint N; ts_double **co; ts_double ***Ylmi; } ts_spharm; -- Gitblit v1.9.3