# Shell model NVE
uo2_shell_nve.inp               2
uo2_shell_nve_r.inp             2
# Shell model NVT
uo2_shell_nvt.inp               2
uo2_shell_nvt_res.inp           2
uo2_shell_nvt_res_2.inp         2
# Shell model NPT
uo2_shell_npti_b.inp            2
uo2_shell_npti.inp              2
uo2_shell_npt300.inp            2
uo2_shell_npt_msd.inp           2
uo2_nvt-1.inp                   2
uo2_nvt.inp                     2
uo2_nvt_0.inp                   2
uo2_nvt_1.inp                   2
uo2_nvt_2.inp                   2
uo2_nvt_3.inp                   2
uo2_nvt_4.inp                   2
uo2_shell_nvt_shnose.inp        2
uo2_shell_nvt_shnose_r.inp      2
uo2_shell_nvt_shnose_b.inp      2
uo2_shell_nvt_shnose_c.inp      2
uo2_shell_nvt_shnosemass.inp    2
uo2_shell_nvt_shnosemass_r.inp  2
uo2_shell_nve_shnose.inp        2
# Temperature_per kind
uo2_shell_nvt_tkind.inp         2
uo2_shell_nvt_tkind_1.inp       2
# CSVR Thermostat
uo2_shell_nvt_shCSVR.inp        2
uo2_shell_nvt_shCSVR_NOSE.inp   2
uo2_shell_nvt_shCSVR_R.inp      2
#npe ensemble
uo2_shell_npe_1.inp             2
uo2_shell_npe_2.inp             2
uo2_shell_npe_2res.inp          2
uo2_shell_npe_3.inp             2
uo2_shell_npe_4.inp             2
uo2_shell_npe_5.inp             2
uo2_shell_npe_6.inp             2
#Variable time step
uo2_shell_nve_vdt.inp           2
uo2_shell_nve_vdt_r.inp         2
uo2_shell_npt_vdt.inp           2
uo2_shell_npt_vdt_2.inp         2
#Check on shell-core distance
uo2_shell_nve_dsc.inp           2
uo2_shell_npt_dsc.inp           2
#ZBL repulsive term for core-core and shell-core interactions
uo2_shell_nve_zbl.inp           2
# thermal regions
uo2_shell_nve_cascade.inp       2
# Geometry optimisation for core-shell model
UO2-4x4x4-core-forces.inp      43
UO2-4x4x4-core-shell-debug.inp   42     1e+00
UO2-4x4x4-shell-forces.inp     44
# Automatic fitting of the BUCK4RANGES polynomials
UO2-4x4x4-autofit.inp          11    1E-12
# Connectivity user
UO2-2x2x2-conn_user.inp        47
UO2-2x2x2-conn_user_nvt.inp     2
# Read CP2K COORD section from an external file, optionally disable all exclusion lists
UO2-2x2x2-coord-0.inp          11
UO2-2x2x2-coord-1.inp          11
UO2-2x2x2-coord-2.inp          11
UO2-2x2x2-coord-3.inp          11
UO2-2x2x2-coord-scaled-1.inp     11     4e-14
