[Main]
run_type = trainFF
Trajectory_file = pt_md.traj
use_cohesive_energy = False
energy_training = TRUE
force_training  = True
scaler_type = NoScaler
adjust = False
epochs_max = 10000

[Parallelization]
process_num = 1
master_addr = 127.0.0.2
batch_num_per_proc = 1
thread_num = 1
mp_start_method = spawn

[Fingerprints]
fp_type = BP
fp_parameter_file = fpParas.dat
fp_use_existing = False
fp_file = fps.pckl

[MachineLearningModel]
model_type = neural_network
hidden_layers =10 7
activation_function = tanh
initial_weights = random_uniform

[Optimizer]
optimizer_type = Rprop
write_final_grads =True
loss_grad_tol = 0.02

[LossFunction]
loss_type = SE
energy_coefficient = 1.0
force_coefficient  = 0.0

[CrossValidation]
cross_validation =False
test_set_size = 0.3
write_train_test = True

[Debug]
init_model_parameters = False