You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Copy file name to clipboardExpand all lines: deepmd/utils/argcheck.py
+7-6Lines changed: 7 additions & 6 deletions
Original file line number
Diff line number
Diff line change
@@ -55,6 +55,8 @@
55
55
doc_dos="Fit a density of states model. The total density of states / site-projected density of states labels should be provided by `dos.npy` or `atom_dos.npy` in each data system. The file has number of frames lines and number of energy grid columns (times number of atoms in `atom_dos.npy`). See `loss` parameter."
56
56
doc_dipole="Fit an atomic dipole model. Global dipole labels or atomic dipole labels for all the selected atoms (see `sel_type`) should be provided by `dipole.npy` in each data system. The file either has number of frames lines and 3 times of number of selected atoms columns, or has number of frames lines and 3 columns. See `loss` parameter."
57
57
doc_polar="Fit an atomic polarizability model. Global polarizazbility labels or atomic polarizability labels for all the selected atoms (see `sel_type`) should be provided by `polarizability.npy` in each data system. The file with has number of frames lines and 9 times of number of selected atoms columns, or has number of frames lines and 9 columns. See `loss` parameter."
58
+
# modifier
59
+
doc_dipole_charge="Use WFCC to model the electronic structure of the system. Correct the long-range interaction."
doc_model_name="The name of the frozen dipole model file."
1787
1793
doc_model_charge_map=f"The charge of the WFCC. The list length should be the same as the {make_link('sel_type', 'model[standard]/fitting_net[dipole]/sel_type')}. "
0 commit comments