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Summary¶

Imports functions from .dat files output by nMOLDYN 4.

Properties¶

Name

Direction

Type

Default

Description

Directory

Input

string

Mandatory

Path to directory containg .dat files

Functions

Input

str list

Names of functions to attempt to load from file

OutputWorkspace

Output

Workspace

Mandatory

Output workspace name

Description¶

Loads data from version 4 of nMOLDYN saved in the ASCII format after being extracted from the .tar archive.

Functions can be provided with or without the comma between multiple dependent variables, for example a function names f(q,t_H) in nMOLDYN can be loaded using either f(q,t)_H or f(qt)_H as a function name in this algorithm.

Assumptions on data format¶

The Directory property must be given the directory that is produced when you extract the .tar archive from nMOLDYN without modifications which must only contain the data files produces from a single export operation from nMOLDYN.

Axis Unit Conversions¶

When loading certain axis from nMOLDYN 4 the units may be converted to an equivalent unit in Mantid. The possible conversions are shown in the table below:

nMOLDYN

Mantid

name

unit

name

unit

frequency

THz

Energy

meV

q

nm**-1

MomentumTransfer

Angstrom**-1

Time

pSecond

TOF

uSecond

Usage¶

data = LoadNMoldyn4Ascii(Directory='~/nmoldyn4_data',
Functions=['sqf_total', 'iqt_total'])

for ws in data:
print(ws.name())


Output:

sqf_total
iqt_total


Categories: AlgorithmIndex | Inelastic\DataHandling | Simulation