############################################################################## #Test for multibinit test-set options ############################################################################## #print options prt_model = 0 dipdip_prt = 0 # Construction of harmonic lattice part ngqpt = 2 2 2 dipdip = 1 ncell = 2 2 2 # Test the effective potential test_effpot = 1 test_prt_ph = 0 # Print the anharmonic part analyze_anh_pot = 1 #%% #%% [setup] #%% executable = multibinit #%% system_xml = t98_model.xml #%% test_set = t98.nc #%% test_chain = t98.abi, t99.abi, t100.abi #%% [files] #%% files_to_test = #%% t98.abo, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -easy; #%% TES_fit_diff_anharmonic_terms_energy.dat, 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 = #%% Test the test set option. Evaluate a given effective potential on a set of configurations. #%% topics = LatticeModel,DynamicsMultibinit #%%