############################################################################## #Test for multibinit, just read xml and generate the effective potential into XML file # without regeneration of dipole-dipole just reading xml ############################################################################## prt_model = 0 dynamics = 101 # Velocity Verlet NVE ncell = 6 6 6 temperature = 50 ntime = 1000 nctime = 10 dtion = 10 #%% #%% [setup] #%% executable = multibinit #%% exclude_builders = .*_nag_7.0_.* #%% system_xml = t83.nc #%% exec_args = --F03 #%% [files] #%% files_to_test = #%% t85.out, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -medium; #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% authors = X. He #%% keywords = Effective potential, multibinit #%% description = #%% Read netcdf and run lattice dynamics using Velocity Verlet NVE (dynamics=101) #%% Disabled on nag@abiref because integer overflow (-C=intovf option of NAG compiler) #%% is detected, which is needed by the random number generator. #%% The random number generator is in 28_numeric_noabirule/m_random_xoroshiro128plus.F90 #%%