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feat/SOF-6973: use a single global template per executable #91
base: epic/SOF-6011
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assets/espresso/neb.x.in.j2
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FIRST_IMAGE | ||
ATOMIC_POSITIONS {{atomicPositions.first.card_option}} | ||
{% for position in atomicPositions.first -%} | ||
{{position.X}} {{position.x}} {{position.y}} {{position.z}} {% if 'if_pos(1)' in position -%} {{position["if_pos(1)"]}} {% endif -%} {% if 'if_pos(2)' in position -%} {{position["if_pos(2)"]}} {% endif -%} {% if 'if_pos(3)' in position -%} {{position["if_pos(3)"]}} {% endif %} |
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@seankwarren why does poisiton has X and x there? what is the difference? I'm just making layout and was confused a bit
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X is the element species, while x, y, and z are the coordinates based on the docs here
@@ -0,0 +1,11 @@ | |||
average: &average |
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Where is the documentation for all the work done in this PR? For example, what is what is staticContext
, common_control
????
We need to clarify the approach and put it in the README
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&BANDS | |||
{%- for key, value in bands %} |
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This block is repeated everywhere below and could be defined as a macros for brevity
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