##############################################################################
#Test for multibinit, read the ddb and generate the effective potential into XML file
# Generate coefficients for the anharmonic part and run the fit process
##############################################################################
energy_reference = -173.52217240339399
prt_model = 2

dipdip = 0
dipdip_prt = 1
#---------------------------------------------------------------
#Inputs for the fitted coefficients
#---------------------------------------------------------------
fit_coeff = 1
fit_rangePower = 3 3
fit_cutoff = 5.6
fit_ncoeff = 2
fit_SPCoupling = 1
fit_iatom = 0 


#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = multibinit
#%% test_chain = t81.in
#%% [files]
#%% [paral_info]
#%% nprocs_to_test = 1, 2, 4, 10
#%% max_nprocs = 10
#%% [NCPU_1]
#%% input_ddb = t81_ddb.in
#%% md_hist = t81_HIST
#%% files_to_test = 
#%%   t81_MPI1.out, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -medium;
#%%   t81_MPI1_coeffs.xml, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -medium;
#%%   t81_MPI1_sys.xml, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -medium;
#%% [NCPU_2]
#%% input_ddb = t81_ddb.in
#%% md_hist = t81_HIST
#%% files_to_test = 
#%%   t81_MPI2.out, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -medium;
#%%   t81_MPI2_coeffs.xml, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -medium;
#%%   t81_MPI2_sys.xml, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -medium;
#%% [NCPU_4]
#%% input_ddb = t81_ddb.in
#%% md_hist = t81_HIST
#%% files_to_test = 
#%%   t81_MPI4.out, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -medium;
#%%   t81_MPI4_coeffs.xml, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -medium;
#%%   t81_MPI4_sys.xml, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -medium;
#%% [NCPU_10]
#%% input_ddb = t81_ddb.in
#%% md_hist = t81_HIST
#%% files_to_test = 
#%%   t81_MPI10.out, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -medium;
#%%   t81_MPI10_coeffs.xml, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -medium;
#%%   t81_MPI10_sys.xml, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -medium;
#%% [extra_info]
#%% authors = A. MARTIN
#%% keywords = Effective potential, multibinit
#%% description = 
#%%   read ddb and HIST, fit the anharmonic part and generate effective potential
#%% topics = LatticeModel,FitProcess
#%%<END TEST_INFO>