Metadata-Version: 1.1
Name: xcore
Version: 0.7.1
Summary: Crystallographic space group library in Python
Home-page: https://github.com/stefsmeets/xcore
Author: Stef Smeets
Author-email: stef.smeets@mmk.su.se
License: GPL
Description: xcore
        =====
        
        Xcore is a crystallographic space group library written in Python.
        
        Usage
        -----
        
        ::
        
            >>> from xcore import UnitCell, SpaceGroup
        
            >>> spgr = SpaceGroup("Pnma")
            >>> spgr.info()
            Space group Pnma
        
                Number       62
                Schoenflies  D2h^16
                Hall         -P 2ac 2n
                H-M symbol   Pnma
        
            Laue  group  mmm
            Point group  mmm
            Orthorhombic
            Centrosymmetric
        
            Order     8
            Order P   8
        
            # +(0.0 0.0 0.0), Inversion Flag = 0
            x,y,z
            -x+1/2,-y,z+1/2
            x+1/2,-y+1/2,-z+1/2
            -x,y+1/2,-z
            # +(0.0 0.0 0.0), Inversion Flag = 1
            -x,-y,-z
            x+1/2,y,-z+1/2
            -x+1/2,y+1/2,z+1/2
            x,-y+1/2,z
        
        or:
        
        ::
        
            >>> cell = UnitCell((19.9020, 10.1561, 24.6892, 105.88), "P21/c", name="SSO", composition="Si80 O163")
            >>> cell.info()
            Cell SSO (Si80 O163)
               a      19.9020       al        90.00
               b      10.1561       be       105.88
               c      24.6892       ga        90.00
            Vol.    4799.90
            Spgr P121/c1
        
        Installation
        ------------
        
        ::
        
            pip install xcore
        
        Requirements
        ------------
        
        -  Python2.7
        -  Numpy
        -  Pandas
        
        Inspired by (and built on) `sginfo <http://cci.lbl.gov/sginfo/>`__.
        
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 2.7
