From ca2c50ccd8174623d05d46169ad188e31c8b50d6 Mon Sep 17 00:00:00 2001 From: Logan Ward Date: Thu, 21 Sep 2017 09:24:31 -0400 Subject: [PATCH] Fixed XML compatibility of expecation set/values --- src/EhrenSampleStepper.C | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/src/EhrenSampleStepper.C b/src/EhrenSampleStepper.C index 19b0ba46..ee40065d 100644 --- a/src/EhrenSampleStepper.C +++ b/src/EhrenSampleStepper.C @@ -623,7 +623,7 @@ void EhrenSampleStepper::step(int niter) // AS: code taken from Wavefunction::diag(Wavefunction& dwf, bool eigvec) if ( s_.ctrl.wf_diag == "EIGVAL" ) { - if ( oncoutpe ) cout << "<" << wf_dyn << " expectation set>" << endl; + if ( oncoutpe ) cout << "<" << wf_dyn << "_expectation_set>" << endl; // AS: this is the new version, not copying code, but copying the wave function instead Wavefunction* to_diag_wf1 = new Wavefunction(s_.wf); @@ -640,7 +640,7 @@ void EhrenSampleStepper::step(int niter) { const int nst = (*to_diag_wf1).sd(ispin,ikp)->nst(); const double eVolt = 2.0 * 13.6058; - cout << " <" << wf_dyn << " expectation values spin=\"" << ispin + cout << " <" << wf_dyn << "_expectation_values spin=\"" << ispin << "\" kpoint=\"" << s_.wf.sd(ispin,ikp)->kpoint() << "\" n=\"" << nst << "\">" << endl; cout << " "; @@ -651,12 +651,12 @@ void EhrenSampleStepper::step(int niter) if ( i%5 == 4 ) cout << endl; } if ( nst%5 != 0 ) cout << endl; - cout << " " << endl; + cout << " " << endl; } } } - if ( oncoutpe ) cout << "" << endl; + if ( oncoutpe ) cout << "" << endl; delete(to_diag_wf1); }