From fb43f14e6f0369107db3a1ca6c83ef0bb39fce94 Mon Sep 17 00:00:00 2001
From: Mark Dewing <mdewing@anl.gov>
Date: Fri, 18 Mar 2016 03:57:02 +0000
Subject: [PATCH] Add flux estimator check to long-running tests.

git-svn-id: https://subversion.assembla.com/svn/qmcdev/trunk@6841 e5b18d87-469d-4833-9cc0-8cdfa06e9491
---
 src/QMCApp/test/CMakeLists.txt                 | 4 ++++
 tests/solids/diamondC_1x1x1_pp/qmc_long.in.xml | 1 +
 tests/solids/diamondC_2x1x1_pp/qmc_long.in.xml | 1 +
 tests/solids/hcpBe_1x1x1_pp/qmc_long.in.xml    | 1 +
 tests/solids/monoO_1x1x1_pp/qmc_long.in.xml    | 1 +
 5 files changed, 8 insertions(+)

diff --git a/src/QMCApp/test/CMakeLists.txt b/src/QMCApp/test/CMakeLists.txt
index caabddac2..adf7d1b13 100644
--- a/src/QMCApp/test/CMakeLists.txt
+++ b/src/QMCApp/test/CMakeLists.txt
@@ -325,6 +325,7 @@ ENDIF()
 
   LIST(APPEND LONG_DIAMOND_SCALARS "totenergy" "-10.491445 0.000065")
   LIST(APPEND LONG_DIAMOND_SCALARS "samples" "122880000 0.0")
+  LIST(APPEND LONG_DIAMOND_SCALARS "flux" "0.0 0.03")
 
   QMC_RUN_AND_CHECK(long-diamondC_1x1x1_pp-vmc_sdj
                     "${CMAKE_SOURCE_DIR}/tests/solids/diamondC_1x1x1_pp"
@@ -337,6 +338,7 @@ ENDIF()
 
   LIST(APPEND LONG_DIAMOND2_SCALARS "totenergy" "-21.668293 0.00023")
   LIST(APPEND LONG_DIAMOND2_SCALARS "samples" "30720000 0.0")
+  LIST(APPEND LONG_DIAMOND2_SCALARS "flux" "0.0 0.05")
 
   QMC_RUN_AND_CHECK(long-diamondC_2x1x1_pp-vmc_sdj
                     "${CMAKE_SOURCE_DIR}/tests/solids/diamondC_2x1x1_pp"
@@ -349,6 +351,7 @@ ENDIF()
 
   LIST(APPEND LONG_HCP_BE_SCALARS "totenergy" "-1.481656 0.000017")
   LIST(APPEND LONG_HCP_BE_SCALARS "samples" "399360000 0.0")
+  LIST(APPEND LONG_HCP_BE_SCALARS "flux" "0.0 0.0001")
 
   QMC_RUN_AND_CHECK(long-hcpBe_1x1x1_pp-vmc_sdj
                     "${CMAKE_SOURCE_DIR}/tests/solids/hcpBe_1x1x1_pp"
@@ -361,6 +364,7 @@ ENDIF()
 
   LIST(APPEND LONG_MONO_O_SCALARS "totenergy" "-31.776596 0.0002")
   LIST(APPEND LONG_MONO_O_SCALARS "samples" "61440000 0.0")
+  LIST(APPEND LONG_MONO_O_SCALARS "flux" "0.0 0.05")
 
   QMC_RUN_AND_CHECK(long-monoO_1x1x1_pp-vmc_sdj
                     "${CMAKE_SOURCE_DIR}/tests/solids/monoO_1x1x1_pp"
diff --git a/tests/solids/diamondC_1x1x1_pp/qmc_long.in.xml b/tests/solids/diamondC_1x1x1_pp/qmc_long.in.xml
index f7a0b10de..1885b5479 100644
--- a/tests/solids/diamondC_1x1x1_pp/qmc_long.in.xml
+++ b/tests/solids/diamondC_1x1x1_pp/qmc_long.in.xml
@@ -77,6 +77,7 @@
          <pairpot type="pseudo" name="PseudoPot" source="ion0" wavefunction="psi0" format="xml">
             <pseudo elementType="C" href="C.BFD.xml"/>
          </pairpot>
+         <estimator type="flux" name="Flux"/>
       </hamiltonian>
    </qmcsystem>
    <qmc method="vmc" move="pbyp">
diff --git a/tests/solids/diamondC_2x1x1_pp/qmc_long.in.xml b/tests/solids/diamondC_2x1x1_pp/qmc_long.in.xml
index 4a91d1651..3124f7bed 100644
--- a/tests/solids/diamondC_2x1x1_pp/qmc_long.in.xml
+++ b/tests/solids/diamondC_2x1x1_pp/qmc_long.in.xml
@@ -79,6 +79,7 @@
          <pairpot type="pseudo" name="PseudoPot" source="ion0" wavefunction="psi0" format="xml">
             <pseudo elementType="C" href="C.BFD.xml"/>
          </pairpot>
+         <estimator type="flux" name="Flux"/>
       </hamiltonian>
    </qmcsystem>
    <qmc method="vmc" move="pbyp">
diff --git a/tests/solids/hcpBe_1x1x1_pp/qmc_long.in.xml b/tests/solids/hcpBe_1x1x1_pp/qmc_long.in.xml
index 71d71a242..20a5489be 100644
--- a/tests/solids/hcpBe_1x1x1_pp/qmc_long.in.xml
+++ b/tests/solids/hcpBe_1x1x1_pp/qmc_long.in.xml
@@ -76,6 +76,7 @@
          <pairpot type="pseudo" name="PseudoPot" source="ion0" wavefunction="psi0" format="xml">
             <pseudo elementType="Be" href="Be.BFD.xml"/>
          </pairpot>
+         <estimator type="flux" name="Flux"/>
       </hamiltonian>
    </qmcsystem>
    <qmc method="vmc" move="pbyp">
diff --git a/tests/solids/monoO_1x1x1_pp/qmc_long.in.xml b/tests/solids/monoO_1x1x1_pp/qmc_long.in.xml
index 749bd7174..fac002bdb 100644
--- a/tests/solids/monoO_1x1x1_pp/qmc_long.in.xml
+++ b/tests/solids/monoO_1x1x1_pp/qmc_long.in.xml
@@ -77,6 +77,7 @@
          <pairpot type="pseudo" name="PseudoPot" source="ion0" wavefunction="psi0" format="xml">
             <pseudo elementType="O" href="O.BFD.xml"/>
          </pairpot>
+         <estimator type="flux" name="Flux"/>
       </hamiltonian>
    </qmcsystem>
    <qmc method="vmc" move="pbyp">