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This project forked from t-weber/takin2

Takin, an inelastic neutron scattering software suite.

License: Other

Shell 2.20% C++ 89.08% Python 4.17% C 0.87% Java 0.41% Julia 0.55% Gnuplot 0.04% CMake 1.77% Yacc 0.56% Lex 0.12% SWIG 0.24%

takin's Introduction

Takin - an inelastic neutron scattering suite.

Version 2.7.

Documentation

The software documentation is available here.
A demonstration of the new magnon module can be found in the Tutorials section.

Repository

Takin's main source code repository is available here.
An overview of historic repositories can be found here.

Software DOIs

Paper DOIs

Please cite the paper that is closest to the version you have used:

Takin 2.5 (2023): 10.1016/j.softx.2023.101471.
Takin 2.0 (2021): 10.1016/j.softx.2021.100667.
Takin 1.5 (2017): 10.1016/j.softx.2017.06.002.
Takin 1.0 (2016): 10.1016/j.softx.2016.06.002.
TAS-Paths (2023): 10.1016/j.softx.2023.101455.

takin's People

Contributors

Stargazers

Watchers

Forkers

shenqi454 jkrueger1 panziyi1

takin's Issues

Warn on invalid positions in resolution dialog

Show a message if the entered position is invalid.

Bose-factor caculator

a simple value return at specific T and E

CLI tool for resolution calculation

A command line interface tool which allows external programs to make use of Takin's implementation for resolution ellipsoid calculation e.g. the Popovici algorithm. I already made a prototype of such a tool, maybe someone can show me how to integrate in the current project so that I can make an effective pull request.
The tool works like this:

./reso instrument.taz

Parameters of instrument.taz are read into the EckParams struct completely bypassing GUI code. Then the tool enters an endless loop which accepts input to stdin of the form
algorithm ki kf Q
e.g.
pop 1.2 1 0.5
and prints the resulting resolution matrix into a single line in stdout.
Other programs start a process and communicate with the program via standard I/O.

energy minimisation algorithms for the ground state like in SW

...and they output the energy as an indication

Show resolution bars in scan viewer

python export for further plotting spin wave dispersions externally

command line option for setting up/running Spin Waves

highlight a flow path for fitting spin waves

For example with including convolution, data import and anything else necessary on a real case such that the user is guide-lined to reach the final goal without missing any steps
https://spinw.org/tutorials/35tutorial (this is a SpinW example, although not the best way, and only for single crystal, we also need for a powder)

Takin >=2.6.0 on Debian doesn't work

Takin versions >=2.6.0 installed on WSL Debian (Debian GNU/Linux 11 (bullseye)) are throwing a following error:

$ takin
takin: error while loading shared libraries: libHist.so: cannot open shared object file: No such file or directory

I installed and tested takin-ver260-debian-bullseye.deb and takin-ver270-debian-bullseye.deb, both behave as above.
Older version takin-ver251-debian-bullseye.deb works fine.

more intuitive way for color scale of spin waves

perhaps have an option similar to SpinW which many users learnt to love :)

How can we export the 4-D resolution array?

It would be a great help if we can export the resolution array for further analysis.

add single ion anisotropy K term (spin waves)

examples with K term:
https://spinw.org/tutorials/14tutorial
https://spinw.org/tutorials/35tutorial

Converter magstructfact -> magdyn

See: t-weber/takin#2

Help texts for plugin modules

Maybe via a bespoke API function.

Adding selection possibility for y-axis (intensity)

In case, there are multiple rows for more than one detector, it would be great to have the possibility to choose a correct detector row manually.

CIF importing error in Win version

CIF file cannot be loaded in Win version.

add powder calculations to Takin magnon module

spherical powder averaging

Determine spurious elastic positions

Output Q', |Q'|, Q'', |Q''| for elastic positions with
i) |kf'| = |ki|,
i) |ki''| = |kf|.

Feature request by Sasha.

Magnetic Dynamics Python Package doesn't build on Mac M3

I wanted to try out the Magnetic Dynamics Python Package to see if I can leverage it for spin waves calculations.
Unfortunately it seems that I'm running into a local problem when building the package.
Some libraries are not found and I can't seem to solve it on my own.

I attach the warnings/errors log in a separate file.

takin-log.txt