From 2abfb4891a5e23655830ab378463722dc8f9a40e Mon Sep 17 00:00:00 2001
From: capoe <cp605@cam.ac.uk>
Date: Mon, 20 Mar 2017 17:31:13 +0000
Subject: [PATCH] GLOG output.
---
src/soap/spectrum.cpp | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/src/soap/spectrum.cpp b/src/soap/spectrum.cpp
index 4091b40..5b5487f 100644
--- a/src/soap/spectrum.cpp
+++ b/src/soap/spectrum.cpp
@@ -143,7 +143,7 @@ AtomicSpectrum *Spectrum::computeAtomic(Particle *center, Structure::particle_ar
weight0 *= _basis->getCutoff()->getCenterWeight();
}
- GLOG() << (*pit)->getType() << " " << dr.getX() << " " << dr.getY() << " " << dr.getZ() << " " << (*pit)->getWeight() << std::endl;
+ GLOG() << (*pit)->getType() << " X " << dr.getX() << " Y " << dr.getY() << " Z " << dr.getZ() << " W " << (*pit)->getWeight() << " S " << (*pit)->getSigma() << std::endl;
// COMPUTE EXPANSION & ADD TO SPECTRUM
bool gradients = (is_image) ? false : _options->get<bool>("spectrum.gradients");
--
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