Fix tests for kkrimp tools

JuDFTteam · Mar 27, 2024 · 8bffa49 · 8bffa49
1 parent 48c4720
commit 8bffa49
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diff --git a/tests/test_kkrimp_tools/test_parse_outfiles_full.yml b/tests/test_kkrimp_tools/test_parse_outfiles_full.yml
@@ -42,6 +42,9 @@ convergence_group:
  number_of_iterations_max: 1
  qbound: 1.0e-07
  rms: 2.3716e-05
+ rms_LDAU: 0.0
+ rms_LDAU_all_iterations:
+ - 0.0
  rms_all_iterations:
  - 2.3716e-05
  rms_per_atom:

diff --git a/tests/test_kkrimp_tools/test_parse_outfiles_full_filehandle.yml b/tests/test_kkrimp_tools/test_parse_outfiles_full_filehandle.yml
@@ -42,6 +42,9 @@ convergence_group:
  number_of_iterations_max: 1
  qbound: 1.0e-07
  rms: 2.3716e-05
+ rms_LDAU: 0.0
+ rms_LDAU_all_iterations:
+ - 0.0
  rms_all_iterations:
  - 2.3716e-05
  rms_per_atom: