fix model conversion of 0.12#1941
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…`, and `model_type` to v0.12 models fix deepmodeling#1934 Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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I have tested it using LAMMPS. |
Codecov ReportBase: 78.14% // Head: 78.12% // Decreases project coverage by
Additional details and impacted files@@ Coverage Diff @@
## devel #1941 +/- ##
==========================================
- Coverage 78.14% 78.12% -0.02%
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Files 118 118
Lines 9872 9875 +3
==========================================
+ Hits 7714 7715 +1
- Misses 2158 2160 +2
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wanghan-iapcm
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Sep 23, 2022
mingzhong15
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Jan 15, 2023
Fix deepmodeling#1934. Add `descrpt_attr/rcut`, `descrpt_attr/ntypes`, `fitting_attr/dfparam`, `model_type`, `o_energy`, `o_force`, `o_virial`, `o_atom_energy`, `o_atom_virial`. Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
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Fix #1934.
Add
descrpt_attr/rcut,descrpt_attr/ntypes,fitting_attr/dfparam,model_type,o_energy,o_force,o_virial,o_atom_energy,o_atom_virial.