chore: more debug info, rename job header script

minyez · Sep 19, 2024 · 01394af · 01394af
1 parent 1df275f
commit 01394af
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Showing 3 changed files with 1 addition and 2 deletions.
diff --git a/mushroom/aims/input.py b/mushroom/aims/input.py
@@ -7,8 +7,6 @@
 from io import StringIO
 from copy import deepcopy
 
-import numpy as np
-
 from mushroom.core.cell import Cell
 from mushroom.core.ioutils import open_textio, get_banner, get_similar_str, str2bool, bool2str
 from mushroom.core.logger import loggers

diff --git a/mushroom/core/kpoints.py b/mushroom/core/kpoints.py
@@ -75,6 +75,7 @@ def _compute_x(self):
             self._x /= self._x[-1]
         self._special_x = self._x[ispks]
         self._index_special_x = np.array(ispks)
+        _logger.debug("Special coordinates in 1D: %r", self._special_x)
 
     @property
     def x(self):

diff --git a/scripts/m_add_job_header → scripts/m_job_add_header b/scripts/m_add_job_header → scripts/m_job_add_header