From 4e0d3995f847b7c21c82dd54b3c0f63a82b8aa81 Mon Sep 17 00:00:00 2001
From: Francois Gygi <fgygi@ucdavis.edu>
Date: Thu, 24 Feb 2011 00:53:48 +0000
Subject: [PATCH] Check that only the k=0 point is used

git-svn-id: http://qboxcode.org/svn/qb/trunk@883 cba15fb0-1239-40c8-b417-11db7ca47a34
---
 src/ComputeMLWFCmd.C | 11 +++++++++++
 1 file changed, 11 insertions(+)

diff --git a/src/ComputeMLWFCmd.C b/src/ComputeMLWFCmd.C
index 62f0827..ffd2a9b 100644
--- a/src/ComputeMLWFCmd.C
+++ b/src/ComputeMLWFCmd.C
@@ -29,6 +29,17 @@ int ComputeMLWFCmd::action(int argc, char **argv)
   Wavefunction& wf = s->wf;
   SlaterDet& sd = *(wf.sd(0,0));
 
+  // Check that only the k=0 point is used
+  if ( wf.nkp()>1 || !sd.basis().real() )
+  {
+    if ( ui->onpe0() )
+    {
+      cout << " ComputeMLWFCmd::action: compute_mlwf can only be used at\n"
+           << " the Gamma point (k=0)" << endl;
+    }
+    return 1;
+  }
+
   MLWFTransform* mlwft = new MLWFTransform(sd);
 
   mlwft->compute_transform();
--
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