From 8730a6c30984caa2ad887f182d22e826d74736ac Mon Sep 17 00:00:00 2001
From: mkirsz <s1351949@sms.ed.ac.uk>
Date: Mon, 24 Feb 2025 22:23:26 +0000
Subject: [PATCH] Sig fig control
---
include/tadah/mlip/output/output.h | 7 +++++++
1 file changed, 7 insertions(+)
diff --git a/include/tadah/mlip/output/output.h b/include/tadah/mlip/output/output.h
index 1a08850..e583c92 100644
--- a/include/tadah/mlip/output/output.h
+++ b/include/tadah/mlip/output/output.h
@@ -190,5 +190,12 @@ class Output {
out_force.close();
out_stress.close();
}
+ void set_numeric(size_t n) {
+ sigfig=n;
+ fmtw=sigfig+7;
+ emptyspace=5;
+ nw=emptyspace+fmtw;
+ }
+
};
#endif // !OUTPUT_H
--
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