From 0ef200d6b134d7beb41a35827e06b9f389973484 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Thu, 29 Dec 2016 22:11:11 +0100 Subject: [PATCH] Forgot files --- plugins/mrcc_selected/EZFIO.cfg | 33 +++++++++++++++++++ plugins/mrcc_selected/NEEDED_CHILDREN_MODULES | 1 + plugins/mrcc_selected/README.rst | 12 +++++++ 3 files changed, 46 insertions(+) create mode 100644 plugins/mrcc_selected/EZFIO.cfg create mode 100644 plugins/mrcc_selected/NEEDED_CHILDREN_MODULES create mode 100644 plugins/mrcc_selected/README.rst diff --git a/plugins/mrcc_selected/EZFIO.cfg b/plugins/mrcc_selected/EZFIO.cfg new file mode 100644 index 00000000..b64637e6 --- /dev/null +++ b/plugins/mrcc_selected/EZFIO.cfg @@ -0,0 +1,33 @@ +[lambda_type] +type: Positive_int +doc: lambda type +interface: ezfio,provider,ocaml +default: 0 + +[energy] +type: double precision +doc: Calculated energy +interface: ezfio + +[energy_pt2] +type: double precision +doc: Calculated energy with PT2 contribution +interface: ezfio + +[energy] +type: double precision +doc: Calculated energy +interface: ezfio + +[thresh_dressed_ci] +type: Threshold +doc: Threshold on the convergence of the dressed CI energy +interface: ezfio,provider,ocaml +default: 1.e-5 + +[n_it_max_dressed_ci] +type: Strictly_positive_int +doc: Maximum number of dressed CI iterations +interface: ezfio,provider,ocaml +default: 10 + diff --git a/plugins/mrcc_selected/NEEDED_CHILDREN_MODULES b/plugins/mrcc_selected/NEEDED_CHILDREN_MODULES new file mode 100644 index 00000000..ea28c761 --- /dev/null +++ b/plugins/mrcc_selected/NEEDED_CHILDREN_MODULES @@ -0,0 +1 @@ +Perturbation Selectors_full Generators_full Psiref_threshold MRCC_Utils ZMQ diff --git a/plugins/mrcc_selected/README.rst b/plugins/mrcc_selected/README.rst new file mode 100644 index 00000000..997d005e --- /dev/null +++ b/plugins/mrcc_selected/README.rst @@ -0,0 +1,12 @@ +======= +mrcepa0 +======= + +Needed Modules +============== +.. Do not edit this section It was auto-generated +.. by the `update_README.py` script. +Documentation +============= +.. Do not edit this section It was auto-generated +.. by the `update_README.py` script.