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* skeleton code for many body + feature spec (issues #10 and #73) * greek alphabet dependency * cache mechanism for topological tensors * some nice warnings * precomputed feature vector size * updated examples for new API as well as public training method * second exotic lattice example updated * feature name labels, issue #69 * undo ordering of species indices * adjacency tensors dtype is int * erroneous print * tolerance as input * training api * fixed the swap issue * numbers instead of symbols for internal logic * L label index rather than n * migrated and fixed some examples * tighter bounds on example * multi-target training * callbacking example * migrated some tests * difference training * fixed intensive dict default value bug * major cleanup * docs * ruff and mypy * docs * multiset dependency * no greek alphabet third party dep and more linting * outdated example * erroneous print * better docs on calculator * use calculate subclass method * mypy problem * some cleaning * missed examples * use calc.load
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skeleton code for many body + feature spec (issues 4 body and 5 body terms #10 and Make user pick three body features #73)
greek alphabet dependency
cache mechanism for topological tensors
some nice warnings
precomputed feature vector size
updated examples for new API as well as public training method
second exotic lattice example updated
feature name labels, issue Access features by name rather than solely by index #69
undo ordering of species indices
adjacency tensors dtype is int
erroneous print
tolerance as input
training api
fixed the swap issue
numbers instead of symbols for internal logic
L label index rather than n
migrated and fixed some examples
tighter bounds on example
multi-target training
callbacking example
migrated some tests
difference training
fixed intensive dict default value bug
major cleanup
docs
ruff and mypy
docs
multiset dependency
no greek alphabet third party dep and more linting
outdated example
erroneous print
better docs on calculator
use calculate subclass method
mypy problem
some cleaning
missed examples
use calc.load