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Quax
Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.
BSD 3-Clause "New" or "Revised" License
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v0.2.0
#6
EricaCMitchell
closed
2 months ago
1
Jax version
#5
alexm-gc
opened
1 year ago
0
lower level derivatives from higher level calculations
#4
binghuang2018
opened
3 years ago
0
segmentation fault occurred for computation of "large" system
#3
binghuang2018
closed
3 years ago
3
3-rd and higher derivatives not yet generalized
#2
binghuang2018
closed
3 years ago
3
compilation problem for libint2 interface to Quax
#1
binghuang2018
opened
3 years ago
3