diff --git a/cp2k_spm_tools/__init__.py b/cp2k_spm_tools/__init__.py index 566dc27..9805128 100644 --- a/cp2k_spm_tools/__init__.py +++ b/cp2k_spm_tools/__init__.py @@ -2,4 +2,4 @@ """ -__version__ = "1.4.3" +__version__ = "1.4.4" diff --git a/cp2k_spm_tools/cp2k_wfn_file.py b/cp2k_spm_tools/cp2k_wfn_file.py index 059435a..c3ba934 100644 --- a/cp2k_spm_tools/cp2k_wfn_file.py +++ b/cp2k_spm_tools/cp2k_wfn_file.py @@ -397,7 +397,7 @@ def read_info_and_evals(): first_imo = -1 - for imo in range(self.nmo[0]): + for imo in range(self.nmo[ispin]): coefs = inpf.read_reals() if imo < loc_ind_start: continue