From 073eac1ea8741e87d3793be6939678b0e9e4bb6f Mon Sep 17 00:00:00 2001 From: Aakash Ashok Naik <91958822+naik-aakash@users.noreply.github.com> Date: Mon, 9 Dec 2024 12:12:49 +0100 Subject: [PATCH] update calorine version (#1083) --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 2ef41b0d2..4869be3d5 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -51,7 +51,7 @@ defects = [ ] forcefields = [ "ase>=3.23.0", - "calorine<=2.2.1", + "calorine>=3.0", "chgnet>=0.2.2", "mace-torch>=0.3.3", "matgl>=1.1.3",