From 41637ae4c538b5f11b41dacf6f941479e7a5ff00 Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@fe.uni-lj.si>
Date: Fri, 06 Jun 2014 09:48:41 +0000
Subject: [PATCH] CV bug fix. Changes in constant volume: verifying the neightbour distances and removed preliminary contraints check. Seems to work now.
---
src/io.h | 29 -----------------------------
1 files changed, 0 insertions(+), 29 deletions(-)
diff --git a/src/io.h b/src/io.h
index 699c73e..66ba7ae 100644
--- a/src/io.h
+++ b/src/io.h
@@ -9,35 +9,6 @@
int force_from_tape;
-typedef struct {
- long int nshell;
- long int ncxmax;
- long int ncymax;
- long int nczmax;
- long int npoly;
- long int nmono;
- long int nfil;
- long int nfono;
- long int R_nucleus;
- long int pswitch;
- char *multiprocessing;
- long int brezveze0;
- long int brezveze1;
- long int brezveze2;
- ts_double xk0;
- ts_double dmax;
- ts_double dmin_interspecies;
- ts_double stepsize;
- ts_double kspring;
- ts_double xi;
- ts_double pressure;
- long int iterations;
- long int inititer;
- long int mcsweeps;
- long int quiet;
- long int shc;
-} ts_tape;
-
typedef struct{
ts_int force_from_tape;
ts_int reset_iteration_count;
--
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