/usr/include/symmetry.h is in libpsi3-dev 3.4.0-6+b1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 | /*-------------------------------------------------------
symmetry.h : Definitions of various symmetry constants
Edward Valeev, Oct. 1999
-------------------------------------------------------*/
#ifndef _psi_include_symmetry_h_
#define _psi_include_symmetry_h_
/*--------------------------------------------------------------
Point groups at this moment are limited to D2h and sumbgroups
Therefore the number of symmetry elements is at most 8. Each
symmetry operation corresponds to a bit of a byte word. The
correspondence is hardwired via defines "GFLAG" where G is
the operation symbol.
To describe nuclear stabilizers or subgroups in general I use
a byte in which bits corresponding to the symmetry operations
that constitute the group are set. The result is that each
operation's contribution to the byte equals "GCODE".
--------------------------------------------------------------*/
#define EFLAG 0
#define C2ZFLAG 1
#define C2YFLAG 2
#define C2XFLAG 3
#define IFLAG 4
#define SIGXYFLAG 5
#define SIGXZFLAG 6
#define SIGYZFLAG 7
#define C2XCODE 1<<C2XFLAG
#define C2YCODE 1<<C2YFLAG
#define C2ZCODE 1<<C2ZFLAG
#define ICODE 1<<IFLAG
#define SIGXYCODE 1<<SIGXYFLAG
#define SIGXZCODE 1<<SIGXZFLAG
#define SIGYZCODE 1<<SIGYZFLAG
#define ECODE 1<<EFLAG
/*-----------------
Indices for axes
-----------------*/
#define XAXIS 0
#define YAXIS 1
#define ZAXIS 2
#endif /* header guard */
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