UO2-2x2x2-coord-scaled-2.inp   11
UO2-2x2x2-coord-scaled-3.inp     11     3e-14
# Binary restart file
UO2-2x2x2-binary_restart-1.inp            11
UO2-2x2x2-binary_restart-2.inp            11
UO2-2x2x2-binary_restart-3.inp            11
UO2-2x2x2-binary_restart-4.inp            11
UO2-2x2x2-binary_restart-cs-1.inp         11
UO2-2x2x2-binary_restart-cs-2.inp         11
UO2-2x2x2-binary_restart-cs-3.inp         11
UO2-2x2x2-binary_restart-cs-4.inp         11
UO2-2x2x2-binary_restart-scaled-1.inp     11
UO2-2x2x2-binary_restart-scaled-2.inp     11
UO2-2x2x2-binary_restart-scaled-3.inp     11
UO2-2x2x2-binary_restart-scaled-4.inp     11
UO2-2x2x2-binary_restart-cs-scaled-1.inp  11
UO2-2x2x2-binary_restart-cs-scaled-2.inp  11
UO2-2x2x2-binary_restart-cs-scaled-3.inp  11
UO2-2x2x2-binary_restart-cs-scaled-4.inp  11
# Switch from ASCII to binary restart file
UO2-switch2binary_restart-1.inp 11
UO2-switch2binary_restart-2.inp 11
UO2-switch2binary_restart-3.inp 11
# Binary restart for shell thermostats
UO2-2x2x2-binary_restart-cs-5.inp   11     9e-10
UO2-2x2x2-binary_restart-cs-6.inp   11     1e-09
UO2-2x2x2-binary_restart-cs-7.inp   11     3e-10
UO2-2x2x2-binary_restart-cs-8.inp   11     5e-09
# Non-harmonic core-shell spring potential
UO2-2x2x2-non-harm-cs.inp 11
# GENPOT: Enable units for parameter values
UO2-2x2x2-genpot_units.inp 11
# Switch ensemble with binary restart file
UO2-2x2x2-binary_restart-npt-nve-1.inp 11
UO2-2x2x2-binary_restart-npt-nve-2.inp 11
UO2-2x2x2-binary_restart-npt-nve-cs-1.inp 11
UO2-2x2x2-binary_restart-npt-nve-cs-2.inp 11
UO2-2x2x2-binary_restart-nve-npt-1.inp 11
UO2-2x2x2-binary_restart-nve-npt-2.inp 11
UO2-2x2x2-binary_restart-nve-npt-cs-1.inp 11
UO2-2x2x2-binary_restart-nve-npt-cs-2.inp 11
# Cascade section
UO2-2x2x2-cascade-1.inp          11     2e-13
# Enable binary restart with core-shell potential from a non-core-shell potential and vice versa
UO2-2x2x2-nocs2cs-nve-1.inp 11
UO2-2x2x2-nocs2cs-nve-2.inp 11
UO2-2x2x2-nocs2cs-nve-3.inp 11
UO2-2x2x2-nocs2cs-nvt-1.inp 11
UO2-2x2x2-nocs2cs-nvt-2.inp 11
UO2-2x2x2-nocs2cs-nvt-3.inp 11
UO2-2x2x2-nocs2cs-npt-1.inp 11
UO2-2x2x2-nocs2cs-npt-2.inp 11
UO2-2x2x2-nocs2cs-npt-3.inp 11
UO2-2x2x2-nocs2cs-nvt2nve-1.inp 11
UO2-2x2x2-nocs2cs-nvt2nve-2.inp 11
UO2-2x2x2-nocs2cs-nvt2nve-3.inp 11
# Fix (BFGS) geometry optimisation for shell models
UO2-2x2x2-geo_opt-bfgs.inp 11
UO2-2x2x2-geo_opt-cg.inp 11  1E-13
UO2-2x2x2-geo_opt-lbfgs.inp 11
UO2-2x2x2-cs-geo_opt-bfgs.inp    11     2e-14    
UO2-2x2x2-cs-geo_opt-cg.inp      11     1e-11
UO2-2x2x2-cs-geo_opt-lbfgs.inp   11     3e-14
# Enable fixed atom constraint for core-shell models
UO2-4x4x4-fixd.inp               11     9e-14
UO2-4x4x4-cs-fixd.inp 43
UO2-4x4x4-cs-fixd-restart.inp 44
UO2-4x4x4-cs-fixd-nvt.inp 54
UO2-4x4x4-cs-fixd-npt.inp 54
