From 818e9a500896a07f885be77aac840117ffe6af85 Mon Sep 17 00:00:00 2001
From: James Graham <J.A.Graham@soton.ac.uk>
Date: Tue, 15 Aug 2017 11:18:34 +0100
Subject: [PATCH] Made output every 100 frames - 10x faster on xtcs with few
atoms
---
xtc-length.c | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/xtc-length.c b/xtc-length.c
index c34ed8d..a60c05a 100644
--- a/xtc-length.c
+++ b/xtc-length.c
@@ -49,7 +49,7 @@ int get_xtc_num_frames(const char *filename, int *nframes, int *natoms, float *p
frame_size = u4_from_buffer(header+88); /* Read frame size from header */
skip = (frame_size+3) & ~((uint32_t)3); /* Round up to 4 byte boundary */
avg_frame_size += (skip - avg_frame_size + 92) / *nframes;
- if(!quiet && *nframes % 10 == 0){
+ if(!quiet && *nframes % 100 == 0){
est_nframes = (int)(size / avg_frame_size);
ps_tmp = u4_from_buffer(header+12);
memcpy(psec, &ps_tmp, 4);
--
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