From db55531eedb5dd576e474eac4ea221293c60b202 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 21 May 2021 16:57:44 -0400 Subject: [PATCH] simplify --- src/USER-HDNNP/pair_hdnnp.cpp | 19 +++---------------- 1 file changed, 3 insertions(+), 16 deletions(-) diff --git a/src/USER-HDNNP/pair_hdnnp.cpp b/src/USER-HDNNP/pair_hdnnp.cpp index c7ea6044ea..9af39a80fa 100644 --- a/src/USER-HDNNP/pair_hdnnp.cpp +++ b/src/USER-HDNNP/pair_hdnnp.cpp @@ -383,22 +383,9 @@ void PairHDNNP::handleExtrapolationWarnings() MPI_Reduce(&numExtrapolationWarningsSummary, &globalEW, 1, MPI_LONG, MPI_SUM, 0, world); // Write to screen or logfile. - if(comm->me == 0) { - if(screen) { - fprintf(screen, - "### NNP EW SUMMARY ### TS: %10ld EW %10ld EWPERSTEP %10.3E\n", - update->ntimestep, - globalEW, - double(globalEW) / showewsum); - } - if(logfile) { - fprintf(logfile, - "### NNP EW SUMMARY ### TS: %10ld EW %10ld EWPERSTEP %10.3E\n", - update->ntimestep, - globalEW, - double(globalEW) / showewsum); - } - } + if(comm->me == 0) + utils::logmesg(lmp,"### NNP EW SUMMARY ### TS: {:10d} EW {:10d} EWPERSTEP {:10.3e}\n", + update->ntimestep, globalEW, double(globalEW) / showewsum); // Reset summary counter. numExtrapolationWarningsSummary = 0; }