From 3c1a5e05c1274d42003db0f97f3636e1b9c5e6bb Mon Sep 17 00:00:00 2001
From: mkirsz <s1351949@sms.ed.ac.uk>
Date: Fri, 13 Dec 2024 12:04:15 +0000
Subject: [PATCH] consistes declarations for B and G
---
include/tadah/models/descriptors/d_basis_functions.h | 3 +++
1 file changed, 3 insertions(+)
diff --git a/include/tadah/models/descriptors/d_basis_functions.h b/include/tadah/models/descriptors/d_basis_functions.h
index c4df96c..09d4683 100644
--- a/include/tadah/models/descriptors/d_basis_functions.h
+++ b/include/tadah/models/descriptors/d_basis_functions.h
@@ -39,6 +39,9 @@ inline double B(double x_c)
return 0.0;
}
}
+inline double B(double r, double eta, double miu) {
+ return B(eta*(r-miu));
+}
inline double B(double x_c, double f)
// x_c = eta*(rij-r_s)
// return B(x_c)*f
--
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