Skip to content

Problem with solvent keyword in the default template #15

@javialra97

Description

@javialra97

Hi,

I modifying the default template to add the solvent but it didn't found it, instead when I used the simple.md it works.

I defined in this way:

{% set label_value = (('Charge' , charge),
('Multiplicity', mult),
('Stoichiometry', stoichiometry),
('Solvent', solvent),
('Electronic Energy (Eh)', electronic_energy),
('Sum of electronic and zero-point Energies (Eh)', zeropointenergy),
('Sum of electronic and thermal Energies (Eh)', thermalenergy),
('Sum of electronic and enthalpy Energies (Eh)', enthalpy),
('Sum of electronic and thermal Free Energies (Eh)', freeenergy),
('Number of Imaginary Frequencies', imaginary_freqs),
)
%}

Datum Value
{% for label, value in label_value %}
{% if missing or value != missing %}
{{label.ljust(48)}} {{value
{% endif %}

Thanks!!

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions