File: summary.html

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python-ase 3.12.0-2
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{% extends "layout.html" %}
{% set d = s.dct %}
{% block title %}Summary{% endblock %}
{% block bar1 %}
SUMMARY
{% endblock %}
{% block content %}
Download:
<a href="/xyz/{{ d.id }}">xyz</a>,
<a href="/sqlite/{{ d.id }}">db</a>,
<a href="/json/{{ d.id }}">json</a>
<br>
{% if d.numbers|length %}
<a href="/gui/{{ d.id }}">
<img src="/image/{{ d.id }}.png">
</a>
<br>
{% endif %}
<br>
{% for name in s.plots %}
<img src="/plot/{{ name }}-{{ d.id }}.png"><br>
{% endfor %}

<table>
<tr><th>name</th><th>unit</th><th>value</th></tr>
{% for name, unit, value in s.table %}
    <tr class={{ loop.cycle('even', 'odd') }}>
        <td> {{ name }} </td>
        <td> {{ unit }} </td>
        <td>{{ value|safe }}</td>
    </tr>
{% endfor %}
</table>
Unit cell in Ang:
<table>
<tr><th>axis</th><th>periodic</th><th>x</th><th>y</th><th>z</th></tr>
{% for axis in s.cell %}
<tr class={{ loop.cycle('even', 'odd') }}>
<td>{{ loop.index }}</td>
<td>{{ d.pbc[loop.index0] }}</td>
{% for a in axis %} <td class=right>{{ a }}</td>{% endfor %}</tr>
{% endfor %}
</table>

{% if s.key_value_pairs %}
Key-value pairs:
<table>
<tr><th>Key</th><th>Value</th></tr>
{% for key, value in s.key_value_pairs %}
<tr class={{ loop.cycle('even', 'odd') }}>
<td>{{ key }}</td><td>{{ value }}</td></tr>
{% endfor %}
</table>
{% endif %}
        
{% if s.forces %}
Forces in ev/Ang:
<table>
<tr><th>#</th><th>symbol</th><th>x</th><th>y</th><th>z</th></tr>
{% for f in s.forces %}
<tr class={{ loop.cycle('even', 'odd') }}>
<td>{{ f[0] }}</td><td>{{ f[1] }}</td>
<td class=right>{{ f[2] }}</td>
<td class=right>{{ f[3] }}</td>
<td class=right>{{ f[4] }}</td>
</tr>
{% endfor %}
</table>
{% endif %}

{% if s.stress %}
Stress tensor (xx, yy, zz, zy, zx, yx) in eV/Ang<sup>3</sup>:<br>
{{ s.stress }}
{% endif %}

{% if s.dipole %}
Dipole moment in e*Ang: ({{ s.dipole }})
{% endif %}
        
{% if s.constraints %}
Constraints: {{ s.constraints }}
{% endif %}
            
{% if s.data %}
Data keys: {{ s.data }}
{% endif %}

{% endblock content %}