#JAC 
JAC.inp                   2
JAC_us.inp                        2     2e-11
#vibrational analysis
wat_freq.inp              8
wat_freq_norot.inp        8
wat_freq_freeze.inp       8
wat_mode_sel.inp         18
wat_mode_sel_range.inp   18
ethene-vib-mode-sel-int.inp 21
# new mode_selective tests for several restart types
N3dye_geoopt.inp          7
N3dye_vib_bfgs.inp               18     1e-05
N3dye_vib_bfgs2.inp              18     2e-08
N3dye_vib_inv_atoms.inp   18 
N3dye_vib_restart_vec3.inp 18
N3dye_vib_restart_vec2.inp 18
N3dye_vib_restart_vec.inp 18
N3dye_vib_restart_vec4.inp 18
#new linear scaling/fastest/more robust topology generator
JAC_gen.inp               2
arginine.inp                      2     4e-11
arginine0.inp             2
arginine_crossC.inp       2
#new reordering algorithm
water_reord.inp           2
phenobenz.inp                     2     1e-10
liquid.inp                2
#PSF EXT CHARMM
wat125.inp                2
#General potential 
argon_GENPOT.inp          2
H2O-1-GENPOT.inp          2
H2O-1-GENPOT-2.inp        2
#test colvar qparm
argon_GENPOT_fcc-ql.inp   2
# mixing
H2OFe-5_75.inp            2
# test energy_force runtime
acn-2.inp                 0
H2OFe-5_75-2.inp          0
I3.inp                    2
#TIP4P
water_tip4p.inp           2
