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Bug Fix: AimsControlIn Preamble write time
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The content of the preamble should be made upon writing file
not generating content
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tpurcell90 committed Jan 25, 2024
1 parent f4fd283 commit 0db4c41
Showing 1 changed file with 0 additions and 6 deletions.
6 changes: 0 additions & 6 deletions pymatgen/io/aims/inputs.py
Original file line number Diff line number Diff line change
Expand Up @@ -503,12 +503,6 @@ def get_content(
lim = "#" + "=" * 79
content = ""

content += "#" + "=" * 72 + "\n"
content += f"# FHI-aims geometry file: {directory}/control.in\n"
content += "# File generated from pymatgen\n"
content += f"# {time.asctime()}\n"
content += "#" + "=" * 72 + "\n"

if parameters["xc"] == "LDA":
parameters["xc"] = "pw-lda"

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