diff --git a/pyxtal/crystal.py b/pyxtal/crystal.py index 7e889794..718467bb 100644 --- a/pyxtal/crystal.py +++ b/pyxtal/crystal.py @@ -1549,6 +1549,7 @@ class Lattice(): 'allow_volume_reset': a bool stating whether or not the volume should be reset during each crystal generation attempt """ + def __init__(self, ltype, volume, PBC=[1,1,1], **kwargs): #Set required parameters if ltype in ["triclinic", "monoclinic", "orthorhombic", "tetragonal", diff --git a/requirements.txt b/requirements.txt index eb2cb937..c9015bbd 100644 --- a/requirements.txt +++ b/requirements.txt @@ -1,4 +1,4 @@ numpy>=1.13.3 -scipy>=1.1.0 +scipy>=1.5.0 spglib>=1.10.4 pymatgen>=2020.1.28 diff --git a/setup.py b/setup.py index 9d0cd76c..59e86bec 100755 --- a/setup.py +++ b/setup.py @@ -42,7 +42,7 @@ ], install_requires=[ 'numpy>=1.13.3', - 'scipy>=1.1.0', + 'scipy>=1.5.0', 'spglib>=1.10.4', 'pymatgen>=2020.1.28'], python_requires='>=3.6.1',