From 9588de08e34c8ca70a5b8eba2ff74499f64ffe0c Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 25 Oct 2019 15:22:39 -0400 Subject: [PATCH] not using fdofloc, so store results in fdotf --- src/min_quickmin.cpp | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/src/min_quickmin.cpp b/src/min_quickmin.cpp index ef649b4dac..62d8267b1d 100644 --- a/src/min_quickmin.cpp +++ b/src/min_quickmin.cpp @@ -216,9 +216,9 @@ int MinQuickMin::iterate(int maxiter) // sync across replicas if running multi-replica minimization if (update->ftol > 0.0) { - if (normstyle == MAX) fdotfloc = fnorm_max(); // max force norm - else if (normstyle == INF) fdotfloc = fnorm_inf(); // inf force norm - else if (normstyle == TWO) fdotfloc = fnorm_sqr(); // Euclidean force 2-norm + if (normstyle == MAX) fdotf = fnorm_max(); // max force norm + else if (normstyle == INF) fdot = fnorm_inf(); // inf force norm + else if (normstyle == TWO) fdot = fnorm_sqr(); // Euclidean force 2-norm else error->all(FLERR,"Illegal min_modify command"); if (update->multireplica == 0) { if (fdotf < update->ftol*update->ftol) return FTOL;