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no line search as default option for CG

This commit is contained in:
alxvov 2019-07-22 18:31:14 +00:00
parent 89bfe4acf2
commit a9a2c7a496
1 changed files with 1 additions and 4 deletions
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5
src/SPIN/min_spin_oso_cg.cpp
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@ -73,10 +73,7 @@ MinSpinOSO_CG::MinSpinOSO_CG(LAMMPS *lmp) :
nreplica = universe->nworlds; nreplica = universe->nworlds;
ireplica = universe->iworld; ireplica = universe->iworld;
if (nreplica > 1) use_line_search = 0; // no line search as default option for CG
use_line_search = 0; // no line search for NEB
else
use_line_search = 1;
discrete_factor = 10.0; discrete_factor = 10.0;
} }