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Merge pull request #89 from Exabyte-io/hotfix/SOF-6999
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hotfix/SOF-6999: Hubbard card whitespace handling
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timurbazhirov authored Sep 20, 2023
2 parents 88758a1 + c5ca93c commit ecab407
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Showing 3 changed files with 5 additions and 3 deletions.
2 changes: 1 addition & 1 deletion .gitignore
Original file line number Diff line number Diff line change
Expand Up @@ -9,4 +9,4 @@
/test/pythonml/.job_context
**/__pycache__/
.eslintcache

.DS_Store
4 changes: 3 additions & 1 deletion assets/espresso/pw_scf_dft_u.j2.in
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Expand Up @@ -42,4 +42,6 @@ CELL_PARAMETERS angstrom
K_POINTS automatic
{% for d in kgrid.dimensions %}{{d}} {% endfor %}{% for s in kgrid.shifts %}{{s}} {% endfor %}
HUBBARD {ortho-atomic}
{% for row in hubbard %}U {{ row.atomicSpecies }}-{{ row.atomicOrbital }} {{ row.hubbardUValue }} {% endfor %}
{% for row in hubbard -%}
U {{ row.atomicSpecies }}-{{ row.atomicOrbital }} {{ row.hubbardUValue }}
{% endfor -%}
2 changes: 1 addition & 1 deletion src/js/data/templates.js

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