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set default fparam and aparam stat and recover from graph #1695

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Merged
wanghan-iapcm merged 2 commits into from
May 11, 2022
Merged

set default fparam and aparam stat and recover from graph #1695

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b6e9f99
set default fparam and aparam stat and recover from graph
njzjz May 9, 2022
62bb8dd
check avg and std separately
njzjz May 10, 2022
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21 changes: 16 additions & 5 deletions deepmd/fit/ener.py
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Original file line number Diff line number Diff line change
Expand Up @@ -378,10 +378,16 @@ def build (self,
if input_dict is None:
input_dict = {}
bias_atom_e = self.bias_atom_e
if self.numb_fparam > 0 and ( self.fparam_avg is None or self.fparam_inv_std is None ):
raise RuntimeError('No data stat result. one should do data statisitic, before build')
if self.numb_aparam > 0 and ( self.aparam_avg is None or self.aparam_inv_std is None ):
raise RuntimeError('No data stat result. one should do data statisitic, before build')
if self.numb_fparam > 0:
if self.fparam_avg is None:
self.fparam_avg = 0.
if self.fparam_inv_std is None:
self.fparam_inv_std = 1.
if self.numb_aparam > 0:
if self.aparam_avg is None:
self.aparam_avg = 0.
if self.aparam_inv_std is None:
self.aparam_inv_std = 1.

with tf.variable_scope('fitting_attr' + suffix, reuse = reuse) :
t_dfparam = tf.constant(self.numb_fparam,
Expand Down Expand Up @@ -527,7 +533,12 @@ def init_variables(self,
suffix to name scope
"""
self.fitting_net_variables = get_fitting_net_variables_from_graph_def(graph_def)

if self.numb_fparam > 0:
self.fparam_avg = get_tensor_by_name_from_graph(graph, 'fitting_attr%s/t_fparam_avg' % suffix)
self.fparam_inv_std = get_tensor_by_name_from_graph(graph, 'fitting_attr%s/t_fparam_istd' % suffix)
if self.numb_aparam > 0:
self.aparam_avg = get_tensor_by_name_from_graph(graph, 'fitting_attr%s/t_aparam_avg' % suffix)
self.aparam_inv_std = get_tensor_by_name_from_graph(graph, 'fitting_attr%s/t_aparam_istd' % suffix)

def enable_compression(self,
model_file: str,
Expand Down