# Bug fix for core-shell in the oder of the kinds
uo2_nvt.inp
uo2_shell_npt300.inp
uo2_shell_npti.inp
uo2_shell_nve.inp
uo2_shell_nve_r.inp
uo2_shell_nvt.inp
uo2_shell_nvt_res_2.inp
uo2_shell_nvt_res.inp
#  
uo2_shell_nve.inp
#  
uo2_shell_nve_r.inp
#  
uo2_shell_nvt.inp
#  
uo2_shell_nvt_res.inp
#  
uo2_shell_nvt_res_2.inp
#  
uo2_shell_npti_b.inp
#  
uo2_shell_npti.inp
#  
uo2_shell_npt300.inp
#  
uo2_nvt.inp
#  
uo2_nvt_1.inp
#  
uo2_nvt_2.inp
#  
uo2_nvt_3.inp
#  
uo2_nvt_4.inp
#  
uo2_shell_nvt_shnose.inp
#  
uo2_shell_nvt_shnose_r.inp
#  
uo2_shell_nvt_shnose_b.inp
# numerics due to cleaning and reorganization of md_run
uo2_nvt.inp
# bug fix the old initialization
uo2_shell_nvt_shnose_b.inp
# restart shell nose thermostat
uo2_shell_nvt_shnose_r.inp
# nve and shell Thermostat
uo2_shell_nve_shnose.inp
# bug fix
uo2_nvt.inp
uo2_shell_nvt_shCSVR.inp
uo2_shell_nvt_shCSVR_R.inp
# bug fix when interaction radius is larger than cell size
uo2_nvt.inp
# more numerically stable spline generation
uo2_shell_npt300.inp
uo2_shell_npti_b.inp
uo2_shell_npti.inp
uo2_shell_nve.inp
uo2_shell_nve_r.inp
uo2_shell_nve_shnose.inp
uo2_shell_nvt.inp
uo2_shell_nvt_res_2.inp
uo2_shell_nvt_res.inp
uo2_shell_nvt_shCSVR.inp
uo2_shell_nvt_shCSVR_NOSE.inp
uo2_shell_nvt_shCSVR_R.inp
uo2_shell_nvt_shnose_b.inp
uo2_shell_nvt_shnose_c.inp
uo2_shell_nvt_shnose.inp
uo2_shell_nvt_shnosemass.inp
uo2_shell_nvt_shnosemass_r.inp
uo2_shell_nvt_shnose_r.inp
uo2_shell_nvt_tkind_1.inp
uo2_shell_nvt_tkind.inp
#
uo2_shell_npe_2.inp
uo2_shell_npe_3.inp
uo2_shell_npe_4.inp
#
# CODATA 2006
uo2_nvt_0.inp
uo2_nvt_1.inp
uo2_nvt_2.inp
uo2_nvt_3.inp
uo2_nvt_4.inp
uo2_nvt.inp
uo2_shell_npe_1.inp
uo2_shell_npe_2.inp
uo2_shell_npe_2res.inp
uo2_shell_npe_3.inp
uo2_shell_npe_4.inp
uo2_shell_npe_5.inp
uo2_shell_npe_6.inp
uo2_shell_npt300.inp
uo2_shell_npti_b.inp
uo2_shell_npti.inp
uo2_shell_nve.inp
uo2_shell_nve_r.inp
uo2_shell_nve_shnose.inp
uo2_shell_nvt.inp
uo2_shell_nvt_res_2.inp
uo2_shell_nvt_res.inp
uo2_shell_nvt_shCSVR.inp
uo2_shell_nvt_shCSVR_NOSE.inp
uo2_shell_nvt_shCSVR_R.inp
uo2_shell_nvt_shnose_b.inp
uo2_shell_nvt_shnose_c.inp
uo2_shell_nvt_shnose.inp
uo2_shell_nvt_shnosemass.inp
uo2_shell_nvt_shnosemass_r.inp
uo2_shell_nvt_shnose_r.inp
uo2_shell_nvt_tkind_1.inp
uo2_shell_nvt_tkind.inp
#  
uo2_shell_npt300.inp
#  
uo2_shell_npt_msd.inp
#  
uo2_shell_npe_1.inp
#  
uo2_shell_npe_2.inp
#  
uo2_shell_npe_2res.inp
#  
uo2_shell_npe_3.inp
#  
uo2_shell_npe_4.inp
#  
uo2_shell_npe_6.inp
#  
uo2_shell_npt_vdt.inp
# eps0 
uo2_shell_nve.inp
uo2_shell_nve_r.inp
uo2_shell_nvt.inp
uo2_shell_nvt_res.inp
uo2_shell_nvt_res_2.inp
uo2_shell_npti_b.inp
uo2_shell_npti.inp
uo2_shell_npt300.inp
uo2_shell_npt_msd.inp
uo2_nvt.inp
uo2_nvt_0.inp
uo2_nvt_1.inp
uo2_nvt_2.inp
uo2_nvt_3.inp
uo2_nvt_4.inp
uo2_shell_nvt_shnose.inp
uo2_shell_nvt_shnose_r.inp
uo2_shell_nvt_shnose_b.inp
uo2_shell_nvt_shnose_c.inp
uo2_shell_nvt_shnosemass.inp
uo2_shell_nvt_shnosemass_r.inp
uo2_shell_nve_shnose.inp
uo2_shell_nvt_tkind.inp
uo2_shell_nvt_tkind_1.inp
uo2_shell_nvt_shCSVR.inp
uo2_shell_nvt_shCSVR_NOSE.inp
uo2_shell_nvt_shCSVR_R.inp
uo2_shell_npe_1.inp
uo2_shell_npe_2.inp
uo2_shell_npe_2res.inp
uo2_shell_npe_3.inp
uo2_shell_npe_4.inp
uo2_shell_npe_5.inp
uo2_shell_npe_6.inp
uo2_shell_nve_vdt.inp
uo2_shell_nve_vdt_r.inp
uo2_shell_npt_vdt.inp
##
uo2_shell_npt_vdt.inp 
uo2_shell_npt_vdt_2.inp         
##
uo2_shell_npt_vdt.inp 
uo2_shell_npt_vdt_2.inp         
# new features : shell-core CG optimization
uo2_shell_nve.inp 
uo2_shell_nve_r.inp  
uo2_nvt_1.inp
uo2_nvt_2.inp
uo2_nvt_3.inp
uo2_nvt_4.inp
uo2_shell_nve_shnose.inp
uo2_shell_npe_1.inp  
uo2_shell_nve_vdt.inp  
uo2_shell_nve_vdt_r.inp 
uo2_shell_npt_vdt.inp  
uo2_shell_npt_vdt_2.inp
uo2_shell_nve_dsc.inp  
uo2_shell_npt_dsc.inp  
uo2_shell_nve_zbl.inp  
#reset for a conceptual bug!
uo2_shell_nve_cascade.inp
#it is not a bug
uo2_shell_nve_cascade.inp
# bug fix for a(zero-cell)-a(non-zero-cell) interaction.
uo2_nvt-1.inp
uo2_nvt.inp
#
uo2_shell_nve_shnose.inp
uo2_shell_nve_dsc.inp
uo2_shell_npt_dsc.inp
uo2_shell_nve_zbl.inp
uo2_shell_nve_cascade.inp
# analytic electrostatic in Fist
uo2_nvt-1.inp
uo2_nvt.inp
uo2_shell_npe_1.inp
uo2_shell_npe_2.inp
uo2_shell_npe_2res.inp
uo2_shell_npe_3.inp
uo2_shell_npe_4.inp
uo2_shell_npe_5.inp
uo2_shell_npe_6.inp
uo2_shell_npt300.inp
uo2_shell_npt_dsc.inp
uo2_shell_npti_b.inp
uo2_shell_npti.inp
uo2_shell_npt_msd.inp
uo2_shell_npt_vdt_2.inp
uo2_shell_npt_vdt.inp
uo2_shell_nve_cascade.inp
uo2_shell_nve_dsc.inp
uo2_shell_nve.inp
uo2_shell_nve_r.inp
uo2_shell_nve_shnose.inp
uo2_shell_nve_vdt.inp
uo2_shell_nve_vdt_r.inp
uo2_shell_nve_zbl.inp
uo2_shell_nvt.inp
uo2_shell_nvt_res_2.inp
uo2_shell_nvt_res.inp
uo2_shell_nvt_shCSVR.inp
uo2_shell_nvt_shCSVR_NOSE.inp
uo2_shell_nvt_shCSVR_R.inp
uo2_shell_nvt_shnose_b.inp
uo2_shell_nvt_shnose_c.inp
uo2_shell_nvt_shnose.inp
uo2_shell_nvt_shnosemass.inp
uo2_shell_nvt_shnosemass_r.inp
uo2_shell_nvt_shnose_r.inp
uo2_shell_nvt_tkind_1.inp
uo2_shell_nvt_tkind.inp
# Fixed a typo in fist_nonbond_force
uo2_nvt-1.inp
uo2_nvt.inp
# Numerical noise due to fixing of two single-precision constants 
uo2_shell_nve_r.inp
uo2_shell_nvt_res.inp
uo2_shell_nvt_res_2.inp
uo2_shell_npti_b.inp
uo2_shell_npti.inp
uo2_shell_npt300.inp
uo2_shell_npt_msd.inp
uo2_nvt-1.inp
uo2_nvt.inp
uo2_shell_nvt_shnose_r.inp
uo2_shell_nvt_shnose_b.inp
uo2_shell_nvt_shnosemass.inp
uo2_shell_nvt_shnosemass_r.inp
uo2_shell_nve_shnose.inp
uo2_shell_npe_1.inp
uo2_shell_npe_2res.inp
uo2_shell_npe_6.inp
uo2_shell_nve_vdt.inp
uo2_shell_nve_vdt_r.inp
uo2_shell_npt_vdt.inp
uo2_shell_npt_vdt_2.inp
uo2_shell_npt_dsc.inp
# Bug fix for forces and stress tensor of the core-shell model 
uo2_shell_nve.inp
uo2_shell_nve_r.inp
uo2_shell_nvt.inp
uo2_shell_nvt_res.inp
uo2_shell_nvt_res_2.inp
uo2_shell_npti_b.inp
uo2_shell_npti.inp
uo2_shell_npt300.inp
uo2_shell_npt_msd.inp
uo2_nvt-1.inp
uo2_nvt.inp
uo2_shell_nvt_shnose.inp
uo2_shell_nvt_shnose_r.inp
uo2_shell_nvt_shnose_b.inp
uo2_shell_nvt_shnose_c.inp
uo2_shell_nvt_shnosemass.inp
uo2_shell_nvt_shnosemass_r.inp
uo2_shell_nve_shnose.inp
uo2_shell_nvt_tkind.inp
uo2_shell_nvt_tkind_1.inp
uo2_shell_nvt_shCSVR.inp
uo2_shell_nvt_shCSVR_NOSE.inp
uo2_shell_nvt_shCSVR_R.inp
uo2_shell_npe_1.inp
uo2_shell_npe_2.inp
uo2_shell_npe_2res.inp
uo2_shell_npe_3.inp
uo2_shell_npe_4.inp
uo2_shell_npe_5.inp
uo2_shell_npe_6.inp
uo2_shell_nve_vdt.inp
uo2_shell_nve_vdt_r.inp
uo2_shell_npt_vdt.inp
uo2_shell_npt_vdt_2.inp
uo2_shell_nve_dsc.inp
uo2_shell_npt_dsc.inp
uo2_shell_nve_zbl.inp
uo2_shell_nve_cascade.inp
#  
UO2-4x4x4-core-forces.inp
#  
UO2-4x4x4-shell-forces.inp
#  
UO2-4x4x4-core-forces.inp
#  
UO2-4x4x4-shell-forces.inp
# Bug fixes for forces and stress tensor of core-shell model 
uo2_shell_nve.inp
uo2_shell_nve_r.inp
uo2_shell_nvt.inp
uo2_shell_nvt_res.inp
uo2_shell_nvt_res_2.inp
uo2_shell_npti_b.inp
uo2_shell_npti.inp
uo2_shell_npt300.inp
uo2_shell_npt_msd.inp
uo2_nvt-1.inp
uo2_nvt.inp
uo2_nvt_1.inp
uo2_nvt_2.inp
uo2_nvt_3.inp
uo2_nvt_4.inp
uo2_shell_nvt_shnose.inp
uo2_shell_nvt_shnose_r.inp
uo2_shell_nvt_shnose_b.inp
uo2_shell_nvt_shnose_c.inp
uo2_shell_nvt_shnosemass.inp
uo2_shell_nvt_shnosemass_r.inp
uo2_shell_nve_shnose.inp
uo2_shell_nvt_tkind.inp
uo2_shell_nvt_tkind_1.inp
uo2_shell_nvt_shCSVR.inp
uo2_shell_nvt_shCSVR_NOSE.inp
uo2_shell_nvt_shCSVR_R.inp
uo2_shell_npe_1.inp
uo2_shell_npe_2.inp
uo2_shell_npe_2res.inp
uo2_shell_npe_3.inp
uo2_shell_npe_4.inp
uo2_shell_npe_5.inp
uo2_shell_npe_6.inp
uo2_shell_nve_vdt.inp
uo2_shell_nve_vdt_r.inp
uo2_shell_npt_vdt.inp
uo2_shell_npt_vdt_2.inp
uo2_shell_nve_dsc.inp
uo2_shell_npt_dsc.inp
uo2_shell_nve_zbl.inp
uo2_shell_nve_cascade.inp
# Repeat the reset which was not recognized the first time by the regtester 
uo2_shell_nve.inp
uo2_shell_nve_r.inp
uo2_shell_nvt.inp
uo2_shell_nvt_res.inp
uo2_shell_nvt_res_2.inp
uo2_shell_npti_b.inp
uo2_shell_npti.inp
uo2_shell_npt300.inp
uo2_shell_npt_msd.inp
uo2_nvt-1.inp
uo2_nvt.inp
uo2_nvt_1.inp
uo2_nvt_2.inp
uo2_nvt_3.inp
uo2_nvt_4.inp
uo2_shell_nvt_shnose.inp
uo2_shell_nvt_shnose_r.inp
uo2_shell_nvt_shnose_b.inp
uo2_shell_nvt_shnose_c.inp
uo2_shell_nvt_shnosemass.inp
uo2_shell_nvt_shnosemass_r.inp
uo2_shell_nve_shnose.inp
uo2_shell_nvt_tkind.inp
uo2_shell_nvt_tkind_1.inp
uo2_shell_nvt_shCSVR.inp
uo2_shell_nvt_shCSVR_NOSE.inp
uo2_shell_nvt_shCSVR_R.inp
uo2_shell_npe_1.inp
uo2_shell_npe_2.inp
uo2_shell_npe_2res.inp
uo2_shell_npe_3.inp
uo2_shell_npe_4.inp
uo2_shell_npe_5.inp
uo2_shell_npe_6.inp
uo2_shell_nve_vdt.inp
uo2_shell_nve_vdt_r.inp
uo2_shell_npt_vdt.inp
uo2_shell_npt_vdt_2.inp
uo2_shell_nve_dsc.inp
uo2_shell_npt_dsc.inp
uo2_shell_nve_zbl.inp
uo2_shell_nve_cascade.inp
# numerics after patch 0006
uo2_nvt_1.inp
uo2_nvt_2.inp
uo2_nvt_3.inp
uo2_nvt_4.inp
# Enable Band (NEB) runs using the core-shell model 
UO2-4x4x4-autofit.inp
# Change of TEST_TYPE 
UO2-2x2x2-binary_restart-1.inp
UO2-2x2x2-binary_restart-2.inp
UO2-2x2x2-binary_restart-3.inp
UO2-2x2x2-binary_restart-4.inp
UO2-2x2x2-binary_restart-cs-1.inp
UO2-2x2x2-binary_restart-cs-2.inp
UO2-2x2x2-binary_restart-cs-3.inp
UO2-2x2x2-binary_restart-cs-4.inp
UO2-2x2x2-binary_restart-scaled-1.inp
UO2-2x2x2-binary_restart-scaled-2.inp
UO2-2x2x2-binary_restart-scaled-3.inp
UO2-2x2x2-binary_restart-scaled-4.inp
UO2-2x2x2-binary_restart-cs-scaled-1.inp
UO2-2x2x2-binary_restart-cs-scaled-2.inp
UO2-2x2x2-binary_restart-cs-scaled-3.inp
UO2-2x2x2-binary_restart-cs-scaled-4.inp
# reset numerics
UO2-2x2x2-binary_restart-cs-8.inp
UO2-2x2x2-binary_restart-cs-7.inp
# Atomic energy and stress properties 
UO2-4x4x4-core-shell-debug.inp
# Atomic energy and stress properties 
UO2-4x4x4-autofit.inp
# improved BFGS and CELL_OPT, new defaults
UO2-2x2x2-genpot_units.inp
