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Merge pull request #2641 from pedroantoniosantosf/mliap_nn

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Add support for neural network (nn) models to MLIAP package to compute energies and forces without going through Python
This commit is contained in:
Axel Kohlmeyer
2021-03-08 20:27:01 -05:00
committed by GitHub
parent 37afa0e6d5 d1c79d54fa
commit 7ae2da0ace
36 changed files with 1452 additions and 308 deletions
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5
doc/utils/sphinx-config/false_positives.txt
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@ -2098,6 +2098,7 @@ ncol
ncorr
ncount
nd
ndescriptors
ndihedrals
ndihedraltypes
Ndihedraltype
@ -2158,6 +2159,7 @@ niu
Nk
nktv
nl
nlayers
nlen
Nlines
nlo
@ -2173,6 +2175,7 @@ Nmin
nmin
Nmols
nn
nnodes
Nocedal
nocite
nocoeff
@ -2659,6 +2662,7 @@ relaxbox
relink
relres
relTol
relu
remappings
remd
Ren
@ -2888,6 +2892,7 @@ si
SiC
Siepmann
Sievers
sigmoid
Sij
Sikandar
Silbert