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    arithmetic.c 4.68 KiB
    /* Copyright (C) 2016 Atsushi Togo */
    /* All rights reserved. */
    
    /* This file is part of spglib. */
    
    /* Redistribution and use in source and binary forms, with or without */
    /* modification, are permitted provided that the following conditions */
    /* are met: */
    
    /* * Redistributions of source code must retain the above copyright */
    /*   notice, this list of conditions and the following disclaimer. */
    
    /* * Redistributions in binary form must reproduce the above copyright */
    /*   notice, this list of conditions and the following disclaimer in */
    /*   the documentation and/or other materials provided with the */
    /*   distribution. */
    
    /* * Neither the name of the phonopy project nor the names of its */
    /*   contributors may be used to endorse or promote products derived */
    /*   from this software without specific prior written permission. */
    
    /* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS */
    /* "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT */
    /* LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS */
    /* FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE */
    /* COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, */
    /* INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, */
    /* BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; */
    /* LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER */
    /* CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT */
    /* LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN */
    /* ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE */
    /* POSSIBILITY OF SUCH DAMAGE. */
    
    #include <string.h>
    #include <stdio.h>
    #include "arithmetic.h"
    
    #include "debug.h"
    
    static int arithmetic_crystal_classes[231] = {
      0,
      1,  2,  3,  3,  4,  5,  5,  6,  6,  7,
      7,  8,  7,  7,  8,  9,  9,  9,  9, 10,
      10, 11, 12, 12, 13, 13, 13, 13, 13, 13,
      13, 13, 13, 13, 14, 14, 14, 15, 15, 15,
      15, 16, 16, 17, 17, 17, 18, 18, 18, 18,
      18, 18, 18, 18, 18, 18, 18, 18, 18, 18,
      18, 18, 19, 19, 19, 19, 19, 19, 20, 20,
      21, 21, 21, 21, 22, 22, 22, 22, 23, 23,
      24, 25, 26, 26, 26, 26, 27, 27, 28, 28,
      28, 28, 28, 28, 28, 28, 29, 29, 30, 30,
      30, 30, 30, 30, 30, 30, 31, 31, 31, 31,
      32, 32, 32, 32, 33, 33, 33, 33, 34, 34,
      35, 35, 36, 36, 36, 36, 36, 36, 36, 36,
      36, 36, 36, 36, 36, 36, 36, 36, 37, 37,
      37, 37, 38, 38, 38, 39, 40, 41, 42, 43,
      42, 43, 42, 43, 44, 45, 46, 45, 46, 47,
      47, 48, 48, 49, 49, 50, 50, 51, 51, 51,
      51, 51, 51, 52, 53, 53, 54, 54, 54, 54,
      54, 54, 55, 55, 55, 55, 56, 56, 57, 57,
      58, 58, 58, 58, 59, 60, 61, 59, 61, 62,
      62, 63, 63, 64, 62, 64, 65, 65, 66, 66,
      67, 65, 65, 67, 68, 69, 70, 68, 69, 70,
      71, 71, 71, 71, 72, 72, 72, 72, 73, 73};
    
    static const char arithmetic_crystal_class_symbols[74][7] = {
      "      ", /*  0 */
      "1P    ", /*  1 */
      "-1P   ", /*  2 */