From 8525c904f92c2e6590029fb9ac52a9c64fe34d7c Mon Sep 17 00:00:00 2001 From: Anatoly Date: Fri, 2 Oct 2020 15:03:03 +0300 Subject: [PATCH] - fixed forgoten "mode" constant --- src/spacetimecorr.cpp | 5 +---- 1 file changed, 1 insertion(+), 4 deletions(-) diff --git a/src/spacetimecorr.cpp b/src/spacetimecorr.cpp index b98a3f2..c37b39a 100644 --- a/src/spacetimecorr.cpp +++ b/src/spacetimecorr.cpp @@ -99,8 +99,6 @@ class SpaceTimeCorr : public TrajectoryAnalysisModule std::vector< std::vector < std::vector < size_t > > > sels; std::vector< int > index; - - int frames {0}; int tauJump {100}; // selectable int window {1000}; // selectable @@ -208,7 +206,7 @@ SpaceTimeCorr::initAnalysis(const TrajectoryAnalysisSettings &settings, const To reference.push_back(top.x().at(static_cast< size_t >(i))); } } - corrs.setDefaults(reference, window, tau, tauJump, crlBorder, effRad, 0, outPutName, index, sels, resNms); + corrs.setDefaults(reference, window, tau, tauJump, crlBorder, effRad, mode, outPutName, index, sels, resNms); } void @@ -226,7 +224,6 @@ SpaceTimeCorr::analyzeFrame(int frnr, const t_trxframe &fr, t_pbc *pbc, Trajecto for (size_t i {0}; i < index.size(); i++) { trajectoryFrame[i] = fr.x[index[i]]; } - frames++; corrs.update(frnr, trajectoryFrame); std::cout << "\t" << frnr << std::endl; } -- 2.22.0