assign type map for LAMMPS pair_style deepmd#2267
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Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Codecov ReportBase: 75.65% // Head: 75.64% // Decreases project coverage by
Additional details and impacted files@@ Coverage Diff @@
## devel #2267 +/- ##
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- Coverage 75.65% 75.64% -0.02%
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Files 204 204
Lines 20267 20294 +27
Branches 1438 1446 +8
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+ Hits 15334 15351 +17
- Misses 4028 4030 +2
- Partials 905 913 +8
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Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
Signed-off-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
wanghan-iapcm
approved these changes
Jan 25, 2023
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Fix #2237. Use the LAMMPS
pair_coeffcommand to settype_map, like ReaxFF, EAM, etc.Add and improve the documentation about
type_map. From now on, settingtype_mapexplicitly is encouraged (but not necessary).