njzjz/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
PythonLGPL-3.0
Issues
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assumes identical cell across frames
#175 opened by github-actions - 0
assumes identical cell across frames
#177 opened by github-actions - 0
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assumes identical cell across frames
#172 opened by github-actions - 0
add model files for globalpolar and WFC
#174 opened by github-actions - 0
add model files for globalpolar and WFC
#173 opened by github-actions - 0
there is hard-code `DOUBLE` in the code
#168 opened by github-actions - 0
move it to the memset.
#170 opened by github-actions - 0
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keep some params that are irrelevant to model structures (need to discuss)
#204 opened by github-actions - 0
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keep some params that are irrelevant to model structures (need to discuss)
#203 opened by github-actions - 0
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consider type embeddings for polar fitting
#195 opened by github-actions - 0
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consider type embeddings for type embedding
#197 opened by github-actions - 0
consider type embeddings for DOSFitting
#192 opened by github-actions - 0
save to the model in UpdateSel.hook
#191 opened by github-actions - 0
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add lr warmups for multitask
#189 opened by github-actions - 0
consider type embeddings in dipole fitting
#188 opened by github-actions - 0
add optimizers for multitask
#190 opened by github-actions - 0
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save to the model in UpdateSel.hook
#186 opened by github-actions - 0
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only include when TF backend is built
#166 opened by github-actions - 1
unpin the upper bound when it is stable
#164 opened by github-actions - 0
push two regs at once here and in trampoline to avoid temporarily unaligned stack
#165 opened by github-actions - 0
can we do this faster on newer ARMs?
#169 opened by github-actions - 0
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convert to single 0-separated string
#163 opened by github-actions - 0
NEON actually supports 32 D-registers but it's unclear how to detect this
#162 opened by github-actions - 0
warn if user-specified functions are missing
#161 opened by github-actions - 0
we can generate wrappers for const data without relocations (or only code relocations)
#160 opened by github-actions - 0
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push two regs at once here and in trampoline to avoid temporarily unaligned stack
#157 opened by github-actions - 0
binary search (bisect)
#159 opened by github-actions