From 04d2dc922ce2744d1db72cb618dd0c4ad1ba2a38 Mon Sep 17 00:00:00 2001
From: VsevolodX <vsevolodbiryukov@icloud.com>
Date: Tue, 31 Mar 2026 21:03:38 -0700
Subject: [PATCH] update: add ev/ang3

---
 src/py/mat3ra/code/constants.py | 2 ++
 1 file changed, 2 insertions(+)

diff --git a/src/py/mat3ra/code/constants.py b/src/py/mat3ra/code/constants.py
index a47976a..6434764 100644
--- a/src/py/mat3ra/code/constants.py
+++ b/src/py/mat3ra/code/constants.py
@@ -45,6 +45,8 @@ class Coefficients:
     cm_inv_to_ev = 0.00012398  # cm^-1 to eV
     ry_bohr_to_eV_A = 25.71104309541616  # or RYDBERG / BOHR
 
+    EV_PER_ANGSTROM3_TO_GPA = CONSTANTS.e / (1e-10) ** 3 / 1e9
+
 
 class Tolerance:
     # in crystal coordinates