small typo

    energy_force(0);

    dts = evaluate_dt();

    calc_gradients(dts);

    calc_gradient(dts);

    calc_search_direction(iter);

    advance_spins();

   calculate gradients

---------------------------------------------------------------------- */

void MinSpinOSO_CG::calc_gradients(double dts)

void MinSpinOSO_CG::calc_gradient(double dts)

{

    int nlocal = atom->nlocal;

    double **sp = atom->sp;

        tdampy = -alpha_damp*(fm[i][2]*sp[i][0] - fm[i][0]*sp[i][2]);

        tdampz = -alpha_damp*(fm[i][0]*sp[i][1] - fm[i][1]*sp[i][0]);

        // calculate rotation matrix

        // calculate gradients

        g[3 * i + 0] = -tdampz * dts;

        g[3 * i + 1] = tdampy * dts;

        g[3 * i + 2] = -tdampx * dts;

    double g2old_global= 0.0;

    // for some reason on a second iteration g_old = 0

    // so we make to iterations as steepest descent

    // so we make two iterations as steepest descent

    if (iter <= 2 || iter % 5 == 0){

        // steepest descent direction

        for (int i = 0; i < nlocal; i++) {

  double **sp = atom->sp;

  double **fm = atom->fm;

  double tdampx, tdampy, tdampz;

  //  double f[3];  // upper triag. part of skew-symm. matr. to be exponented

  double rot_mat[9]; // exponential of a

  double rot_mat[9]; // exponential of matrix made of search direction

  double s_new[3];

  // loop on all spins on proc.

    double evaluate_dt();

    void advance_spins();

    double fmnorm_sqr();

    void calc_gradients(double);

    void calc_gradient(double);

    void calc_search_direction(int);

private:

    double *spvec;               // variables for atomic dof, as 1d vector

    double *fmvec;               // variables for atomic dof, as 1d vector

    double *g_old;  // gradient vector

    double *g_old;  // gradient vector at previous iteration

    double *g;  // gradient vector

    double *p;  // search direction vector