# 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
