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scale_grape.C

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//  Steve McMillan, July 2000; revised July 2001

#ifdef TOOLBOX

#include "hdyn.h"

#define USE_GRAPE
#include "../evolve/kira_grape_include.C"       // GRAPE-specific functions:
                                                // invoke by setting USE_GRAPE

// Code is identical to the  main program in dyn/util/scale.C, except
// that get_top_level_energies() is replaced by kira_top_level_energies(),
// which uses GRAPE if possible.

main(int argc, char ** argv)
{
    real m = 0, q = -1, e = 0, r = 0;
    real eps = 0;

    bool debug = false;
    bool c_flag = false;
    bool e_flag = false;
    bool m_flag = false;
    bool q_flag = false;
    bool r_flag = false;

    if (!parse_scale_main(argc, argv, eps,
                          c_flag,
                          e_flag, e, m_flag, m,
                          q_flag, q, r_flag, r,
                          debug)) {
        get_help();
        exit(1);
    }

    hdyn *b = get_hdyn(cin);
    b->log_history(argc, argv);

    scale(b, eps, c_flag, e_flag, e, m_flag, m, q_flag, q, r_flag, r,
          debug, kira_top_level_energies);

    put_node(cout, *b);
}

#endif

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