Skip to content

Changed name of descriptors. strict arg check of hybrid #532

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Merged
amcadmus merged 2 commits into from
Apr 19, 2021
Merged

Changed name of descriptors. strict arg check of hybrid #532

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
2 commits
Select commit Hold shift + click to select a range
96d14c1
change names of descriptors, old names are still compatible
Apr 19, 2021
de64273
normalized the list items of descriptor `hybrid`
Apr 19, 2021
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
8 changes: 4 additions & 4 deletions deepmd/train/trainer.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -55,16 +55,16 @@ def _generate_descrpt_from_param_dict(descrpt_param):
descrpt_param.pop(kk, None)
if descrpt_type == 'loc_frame':
descrpt = DescrptLocFrame(**descrpt_param)
elif descrpt_type == 'se_a' :
elif descrpt_type == 'se_e2_a' or descrpt_type == 'se_a' :
descrpt = DescrptSeA(**descrpt_param)
elif descrpt_type == 'se_a_3be' or descrpt_type == 'se_at' or descrpt_type == 'se_t' :
elif descrpt_type == 'se_e2_r' or descrpt_type == 'se_r' :
descrpt = DescrptSeR(**descrpt_param)
elif descrpt_type == 'se_e3' or descrpt_type == 'se_at' or descrpt_type == 'se_a_3be' :
descrpt = DescrptSeT(**descrpt_param)
elif descrpt_type == 'se_a_tpe' or descrpt_type == 'se_a_ebd' :
descrpt = DescrptSeAEbd(**descrpt_param)
elif descrpt_type == 'se_a_ef' :
descrpt = DescrptSeAEf(**descrpt_param)
elif descrpt_type == 'se_r' :
descrpt = DescrptSeR(**descrpt_param)
elif descrpt_type == 'se_ar' :
descrpt = DescrptSeAR(descrpt_param)
else :
Expand Down
20 changes: 17 additions & 3 deletions deepmd/utils/argcheck.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -177,9 +177,9 @@ def descrpt_variant_type_args():

return Variant("type", [
Argument("loc_frame", dict, descrpt_local_frame_args()),
Argument("se_a", dict, descrpt_se_a_args()),
Argument("se_r", dict, descrpt_se_r_args()),
Argument("se_t", dict, descrpt_se_t_args(), alias = ['se_at', 'se_a_3be']),
Argument("se_e2_a", dict, descrpt_se_a_args(), alias = ['se_a']),
Argument("se_e2_r", dict, descrpt_se_r_args(), alias = ['se_r']),
Argument("se_e3", dict, descrpt_se_t_args(), alias = ['se_at', 'se_a_3be', 'se_t']),
Argument("se_a_tpe", dict, descrpt_se_a_tpe_args(), alias = ['se_a_ebd']),
Argument("hybrid", dict, descrpt_hybrid_args()),
], doc = doc_descrpt_type)
Expand Down Expand Up @@ -553,7 +553,21 @@ def gen_doc(*, make_anchor=True, make_link=True, **kwargs):
return "\n\n".join(ptr)


def normalize_hybrid_list(hy_list):
new_list = []
base = Argument("base", dict, [], [descrpt_variant_type_args()], doc = "")
for ii in range(len(hy_list)):
data = base.normalize_value(hy_list[ii], trim_pattern="_*")
base.check_value(data, strict=True)
new_list.append(data)
return new_list


def normalize(data):
if "hybrid" == data["model"]["descriptor"]["type"]:
data["model"]["descriptor"]["list"] \
= normalize_hybrid_list(data["model"]["descriptor"]["list"])

ma = model_args()
lra = learning_rate_args()
la = loss_args()
Expand Down