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fix typo in the doc of loc_frame #1963

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Merged
wanghan-iapcm merged 3 commits into from
Oct 4, 2022
Merged

fix typo in the doc of loc_frame #1963

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6752fef
fix typo in the doc of `loc_frame`
Oct 3, 2022
27881a4
fix argcheck
Oct 4, 2022
8850a97
Merge branch 'devel' into fix-1962
wanghan-iapcm Oct 4, 2022
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4 changes: 2 additions & 2 deletions deepmd/descriptor/loc_frame.py
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Original file line number Diff line number Diff line change
Expand Up @@ -33,9 +33,9 @@ class DescrptLocFrame (Descriptor) :
- axis_rule[i*6+0]: class of the atom defining the first axis of type-i atom. 0 for neighbors with full coordinates and 1 for neighbors only with relative distance.\n\n\
- axis_rule[i*6+1]: type of the atom defining the first axis of type-i atom.\n\n\
- axis_rule[i*6+2]: index of the axis atom defining the first axis. Note that the neighbors with the same class and type are sorted according to their relative distance.\n\n\
- axis_rule[i*6+3]: class of the atom defining the first axis of type-i atom. 0 for neighbors with full coordinates and 1 for neighbors only with relative distance.\n\n\
- axis_rule[i*6+3]: class of the atom defining the second axis of type-i atom. 0 for neighbors with full coordinates and 1 for neighbors only with relative distance.\n\n\
- axis_rule[i*6+4]: type of the atom defining the second axis of type-i atom.\n\n\
- axis_rule[i*6+5]: class of the atom defining the second axis of type-i atom. 0 for neighbors with full coordinates and 1 for neighbors only with relative distance.
- axis_rule[i*6+5]: index of the axis atom defining the second axis. Note that the neighbors with the same class and type are sorted according to their relative distance.
"""
def __init__(self,
rcut: float,
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4 changes: 2 additions & 2 deletions deepmd/utils/argcheck.py
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Expand Up @@ -107,9 +107,9 @@ def descrpt_local_frame_args ():
- axis_rule[i*6+0]: class of the atom defining the first axis of type-i atom. 0 for neighbors with full coordinates and 1 for neighbors only with relative distance.\n\n\
- axis_rule[i*6+1]: type of the atom defining the first axis of type-i atom.\n\n\
- axis_rule[i*6+2]: index of the axis atom defining the first axis. Note that the neighbors with the same class and type are sorted according to their relative distance.\n\n\
- axis_rule[i*6+3]: class of the atom defining the first axis of type-i atom. 0 for neighbors with full coordinates and 1 for neighbors only with relative distance.\n\n\
- axis_rule[i*6+3]: class of the atom defining the second axis of type-i atom. 0 for neighbors with full coordinates and 1 for neighbors only with relative distance.\n\n\
- axis_rule[i*6+4]: type of the atom defining the second axis of type-i atom.\n\n\
- axis_rule[i*6+5]: class of the atom defining the second axis of type-i atom. 0 for neighbors with full coordinates and 1 for neighbors only with relative distance.'
- axis_rule[i*6+5]: index of the axis atom defining the second axis. Note that the neighbors with the same class and type are sorted according to their relative distance.'

return [
Argument("sel_a", list, optional = False, doc = doc_sel_a),
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