diff --git a/src/soap/spectrum.cpp b/src/soap/spectrum.cpp index 4091b405bec3fdaa01ebc4a1fd22502116e8de3d..5b5487f66f94c9e7198cf896b570a6c7950b77bc 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");