From be9b14e915eabd72034e6c5b32a712a555431e67 Mon Sep 17 00:00:00 2001 From: Chenxing Luo Date: Wed, 11 May 2022 23:08:35 -0400 Subject: [PATCH] Fix DeprecationWarning in cp2k output parser ``` DeprecationWarning: Please use `R` from the `scipy.constants` namespace, the `scipy.constants.constants` namespace is deprecated. from scipy.constants.constants import R ``` --- dpdata/cp2k/output.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/dpdata/cp2k/output.py b/dpdata/cp2k/output.py index bc70efaf6..808387a3b 100644 --- a/dpdata/cp2k/output.py +++ b/dpdata/cp2k/output.py @@ -3,7 +3,7 @@ import re from collections import OrderedDict -from scipy.constants.constants import R +from scipy.constants import R from .cell import cell_to_low_triangle from ..unit import EnergyConversion, LengthConversion, ForceConversion, PressureConversion