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use enumerators for symbolic constants to flag integrator and linesearch styles

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also a small update to error, warning, and info output
This commit is contained in:
Axel Kohlmeyer
2023-01-09 13:32:04 -05:00
parent d907baac83
commit f88bfbb6af
8 changed files with 58 additions and 59 deletions
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26
src/min_linesearch.cpp
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@ -63,11 +63,11 @@ MinLineSearch::MinLineSearch(LAMMPS *lmp) : Min(lmp)
MinLineSearch::~MinLineSearch()
{
delete [] gextra;
delete [] hextra;
delete [] x0extra_atom;
delete [] gextra_atom;
delete [] hextra_atom;
delete[] gextra;
delete[] hextra;
delete[] x0extra_atom;
delete[] gextra_atom;
delete[] hextra_atom;
}
/* ---------------------------------------------------------------------- */
@ -76,17 +76,17 @@ void MinLineSearch::init()
{
Min::init();
if (linestyle == 0) linemin = &MinLineSearch::linemin_backtrack;
else if (linestyle == 1) linemin = &MinLineSearch::linemin_quadratic;
else if (linestyle == 2) linemin = &MinLineSearch::linemin_forcezero;
if (linestyle == BACKTRACK) linemin = &MinLineSearch::linemin_backtrack;
else if (linestyle == QUADRATIC) linemin = &MinLineSearch::linemin_quadratic;
else if (linestyle == FORCEZERO) linemin = &MinLineSearch::linemin_forcezero;
delete [] gextra;
delete [] hextra;
delete[] gextra;
delete[] hextra;
gextra = hextra = nullptr;
delete [] x0extra_atom;
delete [] gextra_atom;
delete [] hextra_atom;
delete[] x0extra_atom;
delete[] gextra_atom;
delete[] hextra_atom;
x0extra_atom = gextra_atom = hextra_atom = nullptr;
}