From 286c7c9f4e5db1051f3b4c6b91be1d19bc51f0d6 Mon Sep 17 00:00:00 2001 From: Jana Pazurikova Date: Fri, 24 Jun 2016 13:47:46 +0200 Subject: [PATCH] Change default values for iterations in DE --- src/diffevolution.c | 4 ++-- src/settings.c | 6 +++--- 2 files changed, 5 insertions(+), 5 deletions(-) diff --git a/src/diffevolution.c b/src/diffevolution.c index 7262091..b2a4007 100644 --- a/src/diffevolution.c +++ b/src/diffevolution.c @@ -98,7 +98,7 @@ void run_diff_evolution(struct subset * const ss) { /* Minimize the best of the population once more */ if (s.polish > 2) { - minimize_locally(so_far_best, 500); + minimize_locally(so_far_best, 1000); calculate_charges(ss, so_far_best); calculate_statistics(ss, so_far_best); kd_print_results(so_far_best); @@ -200,7 +200,7 @@ void run_diff_evolution(struct subset * const ss) { /* Minimize the result */ if (s.polish > 0) - minimize_locally(so_far_best, 500); + minimize_locally(so_far_best, 2000); /* Tidying up and printing */ kd_destroy(trial); diff --git a/src/settings.c b/src/settings.c index 945e15e..f1da5e8 100644 --- a/src/settings.c +++ b/src/settings.c @@ -462,15 +462,15 @@ void check_settings(void) { if (s.params_method == PARAMS_DE) { /* All settings are optional, so check for mistakes and set defaults */ if (s.population_size <1) - s.population_size = 100; /* 1.2 * (ts.atom_types_count * 2 + 1); */ + s.population_size = 1000; /* 1.2 * (ts.atom_types_count * 2 + 1); */ if (s.om_iters == NO_LIMIT_ITERS && s.om_time == NO_LIMIT_TIME) - s.om_iters = 500; + s.om_iters = 2000; if (s.mutation_constant < 0) /* If not set */ s.mutation_constant = 0.75; if (s.recombination_constant < 0) s.recombination_constant = 0.7; if (s.polish == -1) - s.polish = 1; + s.polish = 3; if (s.sort_by == SORT_NOT_SET) s.sort_by = SORT_RMSD_AVG; }