Workflow Results

dynamics.vasp.mvl-npt

Submit New Run API JSON Python-client

Description:

This task is a reimplementation of pymatgen's MVLNPTMDSet.

Required Parameters:

structure

All Parameters:

angle_tolerance
command
compress_output
directory
is_restart
nsteps
run_id
source
standardize_structure
structure
symmetry_precision
temperature_end
temperature_start
time_step

Read through our our parameter documentation for more information.

Extras:

Filter Results:

Filter mix-ins: ['Structure', 'Calculation']

Extra filters: ['temperature_start__range', 'temperature_end__range', 'time_step__range', 'nsteps__range']

Temperature start is in range

Multiple values may be separated by commas.

Temperature end is in range

Multiple values may be separated by commas.

Time step is in range

Multiple values may be separated by commas.

Nsteps is in range

Multiple values may be separated by commas.

Run id

By Extra Info:

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Workflow Results

dynamics.vasp.mvl-npt

Description:

Required Parameters:

All Parameters:

Extras:

Filter Results:

By Dynamics Info:

By Calculation Info:

By Composition Info:

By Structure Info:

By Symmetry Info:

By Extra Info:

Search Results: