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libint_localize_globals
152e0693
·
Started localizing libint variables, but will not be as useful as first though
·
Nov 08, 2022
master
default
protected
8a5e7a21
·
Merge branch 'fix-omp-bugs-master' into 'master'
·
Dec 21, 2022
libcint_library
c6598a6f
·
update nuclear charge libcint
·
Dec 22, 2022
momentum-integrals-libcint
16872a10
·
Added i_momentum integrals
·
Dec 23, 2022
libcint_2e_grad_reduce_allocs
79538022
·
Seems to work, need to benchmark
·
Dec 24, 2022
QED-CC
b536cc48
·
printing MO, T and Tbar
·
Jun 19, 2023
mkl_transpose
5b3788cc
·
done
·
Aug 06, 2023
ccsd-print-gradient-es
35a4f307
·
printing es grad works!
·
Aug 15, 2023
testing-densities
66249da8
·
comment
·
Aug 24, 2023
QED_CC_multipliers
62054e35
·
Merge branch 'development' of
https://gitlab.com/eT-program/eT
into QED_CC_multipliers
·
Aug 31, 2023
qed-ccsd-jacobian-transpose-optimized
00c3c559
·
Update changelog
·
Jan 10, 2024
dipole_1der_nuc
2f4e7bf9
·
Separated nuclear contribution
·
Jan 15, 2024
cpint-dipole-1der
ecc62da2
·
Thought this should work, but it does not
·
Feb 23, 2024
fix-indent
04e25b19
·
Add licence banner + some docs
·
Mar 07, 2024
ccsd_a2_testing
aa074612
·
float32 works pretty great
·
Apr 10, 2024