Skip to content

Commit

Permalink
remove outputs
Browse files Browse the repository at this point in the history
  • Loading branch information
maki49 committed Jul 19, 2023
1 parent b6c3619 commit b2ccdd7
Showing 1 changed file with 4 additions and 16 deletions.
20 changes: 4 additions & 16 deletions source/module_cell/module_symmetry/symmetry.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -143,9 +143,6 @@ void Symmetry::analy_sys(const UnitCell &ucell, std::ofstream &ofs_running)
precs_try.push_back(epsilon);
nrotks_try.push_back(tmp_nrotk);
//enlarge epsilon and regenerate pointgroup
std::cout << "tmp_nrotk=" << tmp_nrotk << std::endl;
std::cout << "max_nrotk=" << this->max_nrotk << std::endl;

while (tmp_nrotk < this->max_nrotk && epsilon < MAX_EPS)
{
eps_mult(MULT_EPS);
Expand All @@ -154,7 +151,6 @@ void Symmetry::analy_sys(const UnitCell &ucell, std::ofstream &ofs_running)
lattice_to_group(tmp_nrot, tmp_nrotk, no_out);
precs_try.push_back(epsilon);
nrotks_try.push_back(tmp_nrotk);
std::cout << "epsilon=" << epsilon << ", tmp_nrotk=" << tmp_nrotk << std::endl;
}
if (tmp_nrotk > this->nrotk)
{
Expand All @@ -174,12 +170,8 @@ void Symmetry::analy_sys(const UnitCell &ucell, std::ofstream &ofs_running)
eps_to(precs_try[valid_index]);
if (valid_index > 0) ofs_running << " Enlarging `symmetry_prec` to " << epsilon << " ..." << std::endl;
else eps_enlarged = false;

std::cout << "valid_index=" << valid_index << ", nrotk_try=" << nrotks_try[valid_index] << ", tmp_nrotk=" << tmp_nrotk << std::endl;

// regenerate pointgroup after change epsilon (may not give the same result)
lattice_to_group(tmp_nrot, tmp_nrotk, ofs_running);
std::cout << "tmp_nrotk after regenerate with epsilon=" << epsilon << " : " << tmp_nrotk << std::endl;
this->nrotk = tmp_nrotk;
}
else ofs_running << " Enlarging `symmetry_prec` to " << epsilon << " ..." << std::endl;
Expand All @@ -194,16 +186,12 @@ void Symmetry::analy_sys(const UnitCell &ucell, std::ofstream &ofs_running)
lattice_to_group(tmp_nrot, tmp_nrotk, no_out);
precs_try.push_back(epsilon);
nrotks_try.push_back(tmp_nrotk);
std::cout << "tmp_nrotk=" << tmp_nrotk << std::endl;
std::cout << "nrotk_current=" << nrotks_try[0] << std::endl;
std::cout << "nrotk_last=" << this->nrotk << std::endl;
} while (tmp_nrotk >= nrotks_try[0] && precs_try.size() < 5);
int valid_index = (tmp_nrotk < nrotks_try[0]) ? nrotks_try.size() - 2 : nrotks_try.size() - 1;
std::cout << "valid_index=" << valid_index << std::endl;
// #ifdef __DEBUG
#ifdef __DEBUG
assert(valid_index >= 0);
assert(nrotks_try[valid_index] >= nrotks_try[0]);
// #endif
#endif
epsilon = precs_try[valid_index];
// regenerate pointgroup after change epsilon
lattice_to_group(tmp_nrot, tmp_nrotk, ofs_running);
Expand All @@ -212,10 +200,10 @@ void Symmetry::analy_sys(const UnitCell &ucell, std::ofstream &ofs_running)
ofs_running << " Narrowing `symmetry_prec` from " << eps_current << " to " << epsilon << " ..." << std::endl;
}
// final number of symmetry operations
// #ifdef __DEBUG
#ifdef __DEBUG
ofs_running << "symmetry_prec(epsilon) in current ion step: " << this->epsilon << std::endl;
ofs_running << "number of symmetry operations in current ion step: " << this->nrotk << std::endl;
// #endif
#endif
}
else
lattice_to_group(this->nrot, this->nrotk, ofs_running);
Expand Down

0 comments on commit b2ccdd7

Please sign in to comment.