# symmetry-operations-symbols

Derivation of symbols and coordinate triplets Library https://github.com/narumij/symmetry-operations-symbols#readme

 LTS Haskell 16.20: 0.0.2.1 Stackage Nightly 2020-10-30: 0.0.2.1 Latest on Hackage: 0.0.2.1

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#### Module documentation for 0.0.2.1

This version can be pinned in stack with:`symmetry-operations-symbols-0.0.2.1@sha256:4a443a1bd8f4ac155bb90906ee90f41f00ad7b50fd282a47498a00048124634c,2845`

# symmetry-operations-symbols

Haskell Derivation of symbols and coordinate triplets Library

## Quickstart

Make new stack project and move to project directory.

``````% stack new symopRepl
% cd symopRepl
``````

Edit extra-deps part of stack.yaml like below.

``````extra-deps:
- matrix-as-xyz-0.1.2.2
- symmetry-operations-symbols-0.0.2.1
``````

Edit dependencies part of package.yaml like below.

``````dependencies:
- base >= 4.8 && < 5
- matrix-as-xyz >= 0.1.2 && < 2
- symmetry-operations-symbols >= 0.0 && < 0.1
``````

Then start repl.

``````% stack repl
``````

Setup packages and load modules.

``````repl> :m Data.Matrix.AsXYZ Data.Matrix.SymmetryOperationsSymbols
``````

Use like below.

``````repl> fromMatrix' . fromXYZ \$ "x,y,z"
" 1 "

repl> fromMatrix' . fromXYZ \$ "-x,-y,z"
" 2  0,0,z"

repl> fromMatrix' . fromXYZ \$ "-y,-x+1/2,z"
" g (-1/4,1/4,0) x+1/4,-x,z"
``````

## References

1. W. Fischer. and E. Koch. (2006), Derivation of symbols and coordinate triplets International Tables for Crystallography (2006). Vol. A, Chapter 11.2, pp. 812–816.

2. Wondratschek, H. & Neubu ̈ser, J. (1967). Determination of the symmetry elements of a space group from the ‘general positions’ listed in International Tables for X-ray Crystallography, Vol. I. Acta Cryst. 23, 349–352.

## License

See the LICENSE file in the repository.

# Changelog for symmetry-operations-symbols

## 0.0.2.1 – 2020-08-09

• [jpn] ghc-8.4.4及び8.6.4でのビルド失敗の修正
• [jpn] 依存関係の変更

## 0.0.2.0 – 2020-08-09

• [jpn] api変更
• [jpn] ライセンス変更

## 0.0.1.3 – 2020-07-21

• [jpn] ghc8.10対応

## 0.0.1.0 – 2020-07-20

• First version. Released on an unsuspecting world.

## Unreleased changes

Depends on 4 packages(full list with versions):