Merge pull request #7 from nanotech-empa/release/1.4.4

Release/1.4.4
nanotech-empa · Jul 24, 2022 · 7592381 · 7592381
2 parents b3ad7f8 + bc41f92
commit 7592381
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diff --git 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
@@ -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