{% extends 'layout.html' %} {% macro atoms() %} {% if d.numbers|length %}
{% if open_ase_gui %} {% endif %}
{% if open_ase_gui %} Open ASE's GUI {% endif %}
{% endif %} {% endmacro %} {% macro forces() %} {% if s.forces %}

Relaxtion forces in eV/Å

{% for f in s.forces %} {% endfor %}
# symbol x y z
{{ f[0] }} {{ f[1] }} {{ f[2] }} {{ f[3] }} {{ f[4] }}
{% endif %} {% endmacro %} {% macro cell() %} {% for axis in s.cell %} {% for a in axis %} {% endfor %} {% endfor %}
Axis x y z Periodic
{{ loop.index }}{{ a }}{{ d.pbc[loop.index0] }}
{% endmacro %} {% macro table(thing) %} {% set subtitle, rows = thing %} {% for key, value, unit in rows %} {% endfor %}
{{ subtitle }} Value Unit
{{ key }} {{ value|safe }} {{ unit|safe }}
{% endmacro %} {% block title %} {{proj}} - Summary {% endblock %} {% set d = s.row %} {% block head %} {% if not open_ase_gui %} {% endif %} {% endblock %} {% block content %}

{{ s.formula|safe }}

{% for title, things in s.layout %}
{% for column in things %}
{% for thing in column %}
{% if thing == 'ATOMS' %} {{ atoms() }} {% elif thing == 'FORCES' %} {{ forces() }} {% elif thing == 'CELL' %} {{ cell() }} {% elif thing is none %} {% elif thing|length == 2 %} {{ table(thing) }} {% else %} {% endif %}
{% endfor %}
{% endfor %}
{% endfor %}
{% endblock content %}