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safari/fciqmc-caspt2-pose
2a5738cf
·
coded up commutators of Fock contraction, verification pending
·
Sep 12, 2023
auger-tiresia
cdc4ec03
·
allow different ras3
·
Nov 19, 2023
aniso
211a4ba3
·
Merge remote-tracking branch 'upstream/master' into aniso
·
Dec 11, 2023
srmp2
3fb19502
·
(MBPT2) BasBJAI
·
Dec 18, 2023
oneint2hdf5
48ca7cb9
·
Storing current progress.
·
Feb 27, 2024
mpi_integers
3dc42fdf
·
Fixed chovec_io
·
Mar 05, 2024
SOC_issue
ec905f23
·
H_SOC multiplied by i
·
Apr 11, 2024
SOC_Dyson
a5c99e24
·
The first run of expdyson for werddys_red corrupts
·
May 06, 2024
safari/histogrammed-f4rdm-commutators
30aca522
·
adjust fciqmc caspt2 interface to new handling of guga levels
·
Jul 03, 2024
master
default
protected
13ccb99e
·
initialize dmat dataset on hdf5 file also in case of gradients
·
Jul 04, 2024
f90
83ce5f98
·
Use repeat intrinsic
·
Jul 12, 2024
added_basis
ee85429a
·
Added AUG-PCSEG basis set to basis_library
·
Jul 18, 2024
gradient-hdf5
995d69b1
·
Save basic molecular information to alaska's .h5 file
·
Jul 23, 2024
nag-compiler-fix
59f48d97
·
Merge branch 'master' into nag-compiler-fix
·
Aug 06, 2024
qcmaquis-caspt2
87ac8e6c
·
Merge remote-tracking branch 'origin/nag-compiler-fix' into qcmaquis-caspt2
·
Aug 06, 2024
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