# 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
# e.g. 0 means do not compare anything, running is enough
#      1 compares the last total energy in the file
#      for details see cp2k/tools/do_regtest
#
# check that the level shifting technique has no influence on total energy and HOMO-LUMO gap
# METHOD gpw  ; CHOLESKY inverse
c2h2-gpw-inverse.inp                                   1    1.0E-12               -12.47387109223699
c2h2-gpw-inverse.inp                                  52     1.0E-8                         0.261219
# METHOD gpw  ; CHOLESKY off
c2h2-gpw-off.inp                                       1    1.0E-12               -12.47387109223699
c2h2-gpw-off.inp                                      52     1.0E-8                         0.261219
# METHOD gpw  ; CHOLESKY reduce
c2h2-gpw-reduce.inp                                    1    1.0E-12               -12.47387109223699
c2h2-gpw-reduce.inp                                   52     1.0E-8                         0.261219
# METHOD gpw  ; CHOLESKY restore
c2h2-gpw-restore.inp                                   1    1.0E-12               -12.47387109223699
c2h2-gpw-restore.inp                                  52     1.0E-8                         0.261219
#EOF
