From ce147c719e6c4901529c801b62a3e442710b7202 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Sat, 7 Nov 2015 11:29:06 +0100 Subject: [PATCH] Added missing EZFIO.cfg file in CISD --- plugins/CISD/EZFIO.cfg | 10 ++++++++++ 1 file changed, 10 insertions(+) create mode 100644 plugins/CISD/EZFIO.cfg diff --git a/plugins/CISD/EZFIO.cfg b/plugins/CISD/EZFIO.cfg new file mode 100644 index 00000000..dc3ee61d --- /dev/null +++ b/plugins/CISD/EZFIO.cfg @@ -0,0 +1,10 @@ +[energy] +type: double precision +doc: Variational CISD energy +interface: ezfio + +[energy_pt2] +type: double precision +doc: Estimated CISD energy (including PT2) +interface: ezfio +