############################################################################## #Test for multibinit restart molecular dynamics ############################################################################## prt_model = 0 dipdip_prt = 0 ncell = 2 2 2 ngqpt = 2 2 2 dipdip = 1 dynamics = 13 restartxf = -3 dtion = 40 optcell = 2 temperature = 50 ntime = 50 strtarget = 3*0 3*0 #%% #%% [setup] #%% executable = multibinit #%% system_xml = t38_model.xml #%% [shell] #%% pre_commands = #%% iw_cp t38.out_HIST.nc t38.out_HIST.nc; #%% [files] #%% files_to_test = #%% t38.out, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -easy; #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% authors = M. M. Schmitt #%% keywords = Effective potential, multibinit #%% description = #%% Restart a Molecular-Dynamics run from a _HIST.nc file with one step in it. #%% topics = LatticeModel,DynamicsMultibinit #%%