From a733f97028f5cd532212572f9561ab64e09f002b Mon Sep 17 00:00:00 2001 From: Crozet Sébastien Date: Mon, 29 Mar 2021 17:21:49 +0200 Subject: Implement the ability to run multiple CCD substeps. --- src/counters/mod.rs | 12 ++++++++++++ 1 file changed, 12 insertions(+) (limited to 'src/counters/mod.rs') diff --git a/src/counters/mod.rs b/src/counters/mod.rs index c172350..4d4d05d 100644 --- a/src/counters/mod.rs +++ b/src/counters/mod.rs @@ -114,6 +114,18 @@ impl Counters { pub fn set_ncontact_pairs(&mut self, n: usize) { self.cd.ncontact_pairs = n; } + + /// Resets all the counters and timers. + pub fn reset(&mut self) { + if self.enabled { + self.step_time.reset(); + self.custom.reset(); + self.stages.reset(); + self.cd.reset(); + self.solver.reset(); + self.ccd.reset(); + } + } } macro_rules! measure_method { -- cgit