Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: BAGEL: Brilliantly Advanced General Electronic-structure Library   On behalf of the development team, I review the capabilities of the BAGEL
program package in this article. BAGEL is a newly-developed full-fledged
program package for electronic-structure computation in quantum chemistry,
which is released under the GNU General Public License with many contributions
from the developers. The unique features include analytical CASPT2 nuclear
energy gradients and derivative couplings, relativistic multireference wave
functions based on the Dirac equation, and implementations of novel electronic
structure theories. All of the programs are efficiently parallelized using both
threads and MPI processes. We also discuss the code generator SMITH3, which has
been used to implement some of the programs in BAGEL. The developers'
contributions are listed at the end of the main text.

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The categories of this paper are: adap-org
29
The categories of this paper are: funct-an
2
The categories of this paper are: math
14
The categories of this paper are: math-ph
34
The categories of this paper are: chem-ph
35
The categories of this paper are: mtrl-th
6
The categories of this paper are: astro-ph
26
The categories of this paper are: bayes-an
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The categories of this paper are: q-fin
9
The categories of this paper are: nlin
25
The categories of this paper are: patt-sol
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The categories of this paper are: supr-con
1
The categories of this paper are: cs
32
The categories of this paper are: atom-ph
8
The categories of this paper are: hep-ex
30
The categories of this paper are: q-alg