From c3533a50e418042e2f05d675ec36335903f2126b Mon Sep 17 00:00:00 2001
From: Marcin Kirsz <marcin.kirsz@ed.ac.uk>
Date: Tue, 28 Jan 2025 15:59:42 +0000
Subject: [PATCH] Update d2_zbl.h
---
include/tadah/models/descriptors/d2/d2_zbl.h | 6 +++---
1 file changed, 3 insertions(+), 3 deletions(-)
diff --git a/include/tadah/models/descriptors/d2/d2_zbl.h b/include/tadah/models/descriptors/d2/d2_zbl.h
index ce58b38..cb7e7f5 100644
--- a/include/tadah/models/descriptors/d2/d2_zbl.h
+++ b/include/tadah/models/descriptors/d2/d2_zbl.h
@@ -8,7 +8,7 @@
*
* The ZBL (Ziegler-Biersack-Littmark) potential is an empirical potential used to model short-range interactions between atoms.
*
- * The constant term \f$ \frac{4 \pi \varepsilon_0 e^2}{1} \f$ is set to 1 and will be fitted as needed.
+ * The constant term \f$ \frac{e^2}{4 \pi \varepsilon_0 } \f$ is set to 1 and will be fitted as needed.
*
* The simplified expression for the ZBL potential is given by:
*
@@ -18,7 +18,7 @@
*
* where \f$ a \f$ is the screening length, expressed as:
* \f[
- * a = \frac{s_0 \cdot a_0}{Z_1^{p_0} + Z_2^{p_1}}
+ * a = \frac{s_0 a_0}{Z_1^{p_0} + Z_2^{p_1}}
* \f]
*
* Here, \f$ a_0 \f$, \f$ s_0 \f$, \f$ p_0 \f$, and \f$ p_1 \f$ are adjustable hyperparameters.
@@ -36,7 +36,7 @@
*
* Required Config Key: \ref INIT2B \ref TYPE2B
*
- * - TYPE2B D2_ZBL \f$ a_0 \f$ \f$ s_0 \f$ \f$ p_0 \f$ \f$ p_1 \f$
+ * - TYPE2B D2_ZBL \f$ a_0 \f$ \f$ s_0 \f$ \f$ p_0 \f$ \f$ p_1 \f$ ELEMENT1 ELEMENT2
*
* Examples:
*
--
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