# runs are executed in the same order as in this file
# the second field tells which test should be run in order to compare with the last available output
# see regtest/TEST_FILES
ch2o-1.inp                                             1    1.0E-14              -5.76250962732554
# not yet implemented
# isolated system..
ch2o-2.inp                                             1    1.0E-14              -5.75087368892706
ch2o-3.inp                                             1    1.0E-14              -5.75463060809440
H+.inp                                                 1    1.0E-14               0.23499952947293
ch2o-4.inp                                             1      3e-14              -5.75087369849484
ch2o-5.inp                                             1      6e-14              -5.75463063389089
ch2o.inp                                               1    1.0E-14              -5.75087391751536
ch2o-r.inp                                             1    1.0E-14              -5.75087391754637
ch2o-p.inp                                             1    1.0E-14              -5.75087391754637
co.inp                                                 1    1.0E-14              -5.04980895105760
h2o-1.inp                         1     1e-09            -130.55615201450678
h2o-2.inp                         1     3e-09            -130.54584722120117
h2o-3.inp                         1     1e-08            -130.53037829229433
h2o-4.inp                         1     1e-09            -130.55615287555833
h2o.inp                           1     4e-09            -130.41283728026696
h2o_hb_corr.inp                                        1    1.0E-14             -12.21999177950558
ch2o-ot1.inp                                           1      2e-14            -5.7581776065727297
ch2o-ot2.inp                                           1    1.0E-14              -5.60300975790435
ch2o-ot3.inp                                           1    1.0E-14              -5.74238713882779
ch2o-ot4.inp                                           1    1.0E-14              -5.71482283252281
ch2o-ot6.inp                                           1    1.0E-14              -5.72519022607777
# bug fix for neighborlists
h2o-5.inp                         1     1e-09            -130.55615201450678
# first check for LSD
test-lsd.inp                                           1      4e-14              -5.75878702495205
# atomic properties
fa_atprop.inp                                          1    1.0E-14              -5.75463073188988
fa2_atprop.inp                                         1    1.0E-14              -5.75087391754637
h2o_atprop.inp                    1     3e-09            -130.55524725908725
# MD properties
h2o_md.inp                        1     5e-09            -130.43412437998944
# Ehrenfest and RTP
h2o_emd.inp                                            1    1.0E-14              -4.06522759568352 
h2o_rtp.inp                                            1    1.0E-14              -4.06552861065887
c2h2_emd_mix.inp                                       1      5e-11                  -3.9158445002
# HB correction parameter
h2o_hb_corr_1.inp                                      1    1.0E-14             -12.21999177950558
h2o_hb_corr_2.inp                                      1    1.0E-14             -12.22941399481958
# Dispersion
h2o_disp1.inp                     1     4e-09            -130.41283728026696
h2o_disp2.inp                     1     4e-09            -130.75741209724970
h2o_disp3.inp                     1     3e-09            -130.76472793745498
# DFTB3
h2o-6.inp                         1     4e-09            -131.25213795632621
h2o-7.inp                         1     1e-08            -131.26425805025826
# Properties stress
h2o-atprop1.inp                   1     4e-09            -130.77689031535715
h2o-atprop2.inp                   1     8e-09            -131.67997131801212
h2o-atprop3.inp                   1     8e-09            -131.33363546896408
#
c_kp1.inp                                              1    1.0E-14             -13.76936383448730
c_kp2.inp                         1     7e-14             -13.76786043591555
#EOF
