Commit 7e5c293a authored by alxvov's avatar alxvov
Browse files

delete comment. Add line option

parent 883f6d1e

src/SPIN/min_spin_oso_cg.cpp

+0 −1
Original line number Diff line number Diff line
@@ -512,7 +512,6 @@ void MinSpinOSO_CG::rodrigues_rotation(const double *upp_tr, double *out) 
void MinSpinOSO_CG::vm3(const double *m, const double *v, double *out)

{

  for(int i = 0; i < 3; i++){

    //out[i] *= 0.0;

    out[i] = 0.0;

    for(int j = 0; j < 3; j++)

    out[i] += *(m + 3 * j + i) * v[j];

src/SPIN/min_spin_oso_lbfgs.cpp

+1 −2
Original line number Diff line number Diff line
@@ -645,7 +645,6 @@ void MinSpinOSO_LBFGS::rodrigues_rotation(const double *upp_tr, double *out) 
void MinSpinOSO_LBFGS::vm3(const double *m, const double *v, double *out)

{

  for(int i = 0; i < 3; i++){

    //out[i] *= 0.0;

    out[i] = 0.0;

    for(int j = 0; j < 3; j++)

    out[i] += *(m + 3 * j + i) * v[j];

src/min.cpp

+2 −0
Original line number Diff line number Diff line
@@ -653,6 +653,8 @@ void Min::modify_params(int narg, char **arg) 
      if (strcmp(arg[iarg+1],"backtrack") == 0) linestyle = 0;

      else if (strcmp(arg[iarg+1],"quadratic") == 0) linestyle = 1;

      else if (strcmp(arg[iarg+1],"forcezero") == 0) linestyle = 2;

      else if (strcmp(arg[iarg+1],"spin_cubic") == 0) linestyle = 3;

      else if (strcmp(arg[iarg+1],"spin_none") == 0) linestyle = 4;

      else error->all(FLERR,"Illegal min_modify command");

      iarg += 2;

    } else {

CRA Git | Maintained and supported by SUSTech CRA and CCSE