##############################################################################
#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
##############################################################################
prt_model = 1

dipdip = 1
dipdip_prt = 1

#---------------------------------------------------------------
#Inputs for the fitted coefficients
#---------------------------------------------------------------
fit_generateCoeff = 0
fit_initializeData = 0
fit_coeff = 1
fit_ncoeff = 2
fit_nfixcoeff  = 2 
fit_fixcoeff  = 1 2 
fit_iatom = -1

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = multibinit
#%% test_chain = t13.in,t14.in,t15.in
#%% system_xml = t14_sys.xml
#%% coeff_xml = t14_coeffs.xml
#%% md_hist = t13_HIST
#%% [files]
#%% files_to_test = 
#%%   t14.out, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -medium;
#%%   t14_model.xml, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options = -easy;
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% authors = A. MARTIN
#%% keywords = Effective potential, multibinit
#%% description = 
#%%   read ddb and HIST, fit the anharmonic part and generate effective potential 
#%% topics = FitProcess,LatticeModel
#%%<END TEST_INFO>