From a746631c39b543b51b6fc2aa451707d07ff4fc59 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Ole=20Sch=C3=BCtt?= Date: Mon, 27 Jan 2020 17:43:04 +0100 Subject: [PATCH] Add reference values to TMC/regtest_ana_post_proc --- tests/TMC/regtest_ana_post_proc/TEST_FILES | 10 +++++----- 1 file changed, 5 insertions(+), 5 deletions(-) diff --git a/tests/TMC/regtest_ana_post_proc/TEST_FILES b/tests/TMC/regtest_ana_post_proc/TEST_FILES index ccb9320bd9..6651e9b637 100644 --- a/tests/TMC/regtest_ana_post_proc/TEST_FILES +++ b/tests/TMC/regtest_ana_post_proc/TEST_FILES @@ -13,15 +13,15 @@ TMC_ana_create_traj_without_ana.inp 0 # density calculations TMC_ana_density.inp 39 1.0E-14 0.13965929400215982 # radial distribution function -TMC_ana_G_R.inp 39 +TMC_ana_G_R.inp 39 3.5E-03 0.00512119420581984 # classical dipole moment writing out TMC restart file (no ana restart file) -TMC_ana_dip_cl.inp 39 +TMC_ana_dip_cl.inp 0 # calculating the root mean squared deviation from the last cell and the average -TMC_ana_deviation.inp 39 +TMC_ana_deviation.inp 39 3.5E-02 0.76812571375286065 # all together for the restart case, creating the analysis input file -TMC_ana_all.inp 39 +TMC_ana_all.inp 39 3.5E-02 0.76812571375286065 # creating a not analyzed trajectory TMC_ana_extend_trajectory.inp 0 # restarting with existing analysis restart file -TMC_ana_restart.inp 39 +TMC_ana_restart.inp 39 3.5E-02 0.75766069922260437 #EOF