From b92eda8ab884669f440be4ebb23484dd98b496c4 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sun, 9 Aug 2020 17:36:15 -0400
Subject: [PATCH] enable testing with r-RESPA for real

---
 unittest/force-styles/test_fix_timestep.cpp | 25 ++++++++++++---------
 1 file changed, 14 insertions(+), 11 deletions(-)

diff --git a/unittest/force-styles/test_fix_timestep.cpp b/unittest/force-styles/test_fix_timestep.cpp
index cc20dae0ca..2dfd494a23 100644
--- a/unittest/force-styles/test_fix_timestep.cpp
+++ b/unittest/force-styles/test_fix_timestep.cpp
@@ -295,7 +295,7 @@ TEST(FixTimestep, plain)
     int argc    = sizeof(args) / sizeof(char *);
 
     ::testing::internal::CaptureStdout();
-    LAMMPS *lmp = init_lammps(argc, argv, test_config, false);
+    LAMMPS *lmp = init_lammps(argc, argv, test_config);
 
     std::string output = ::testing::internal::GetCapturedStdout();
     if (verbose) std::cout << output;
@@ -523,11 +523,13 @@ TEST(FixTimestep, plain)
     if (!verbose) ::testing::internal::GetCapturedStdout();
 
     ::testing::internal::CaptureStdout();
-    lmp = init_lammps(argc, argv, test_config, false);
-
+    lmp    = init_lammps(argc, argv, test_config, true);
     output = ::testing::internal::GetCapturedStdout();
     if (verbose) std::cout << output;
 
+    // lower required precision by one order of magnitude to accommodate respa
+    epsilon *= 10.0;
+
     x   = lmp->atom->x;
     tag = lmp->atom->tag;
     stats.reset();
@@ -588,7 +590,7 @@ TEST(FixTimestep, plain)
     }
 
     if (!verbose) ::testing::internal::CaptureStdout();
-    restart_lammps(lmp, test_config, false, false);
+    restart_lammps(lmp, test_config, false, true);
     if (!verbose) ::testing::internal::GetCapturedStdout();
 
     x   = lmp->atom->x;
@@ -651,7 +653,7 @@ TEST(FixTimestep, plain)
     }
 
     if (!verbose) ::testing::internal::CaptureStdout();
-    restart_lammps(lmp, test_config, true, false);
+    restart_lammps(lmp, test_config, true, true);
     if (!verbose) ::testing::internal::GetCapturedStdout();
 
     x   = lmp->atom->x;
@@ -729,8 +731,7 @@ TEST(FixTimestep, omp)
     int argc    = sizeof(args) / sizeof(char *);
 
     ::testing::internal::CaptureStdout();
-    LAMMPS *lmp = init_lammps(argc, argv, test_config, false);
-
+    LAMMPS *lmp        = init_lammps(argc, argv, test_config);
     std::string output = ::testing::internal::GetCapturedStdout();
     if (verbose) std::cout << output;
 
@@ -958,11 +959,13 @@ TEST(FixTimestep, omp)
     if (!verbose) ::testing::internal::GetCapturedStdout();
 
     ::testing::internal::CaptureStdout();
-    lmp = init_lammps(argc, argv, test_config, false);
-
+    lmp    = init_lammps(argc, argv, test_config, true);
     output = ::testing::internal::GetCapturedStdout();
     if (verbose) std::cout << output;
 
+    // lower required precision by one order of magnitude to accommodate respa
+    epsilon *= 10.0;
+
     x   = lmp->atom->x;
     tag = lmp->atom->tag;
     stats.reset();
@@ -1023,7 +1026,7 @@ TEST(FixTimestep, omp)
     }
 
     if (!verbose) ::testing::internal::CaptureStdout();
-    restart_lammps(lmp, test_config, false, false);
+    restart_lammps(lmp, test_config, false, true);
     if (!verbose) ::testing::internal::GetCapturedStdout();
 
     x   = lmp->atom->x;
@@ -1086,7 +1089,7 @@ TEST(FixTimestep, omp)
     }
 
     if (!verbose) ::testing::internal::CaptureStdout();
-    restart_lammps(lmp, test_config, true, false);
+    restart_lammps(lmp, test_config, true, true);
     if (!verbose) ::testing::internal::GetCapturedStdout();
 
     x   = lmp->atom->x;