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Qi Zhang
Vibration
Merge requests
Open
0
Merged
13
Closed
6
All
19
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Title
fix: redefine Veff s.t. it is the same as eq(15) in paper J. Chem. Theory...
!18
· created
Apr 21, 2024
by
Ruisi Wang
vscf
CLOSED
Approved
0
updated
Apr 21, 2024
fix: inner loop of veff
!14
· created
Apr 20, 2024
by
Ruisi Wang
vscf
CLOSED
Approved
0
updated
Apr 20, 2024
docs: update CH3CN data
!6
· created
Mar 09, 2024
by
Ruisi Wang
CLOSED
0
updated
Mar 09, 2024
feat: add manually setting total number of ground states in sampling
!4
· created
Feb 28, 2024
by
Ruisi Wang
CLOSED
Approved
0
updated
Mar 01, 2024
feat: add manually setting total number of ground states in sampling
!3
· created
Feb 28, 2024
by
Ruisi Wang
CLOSED
Approved
0
updated
Feb 28, 2024
fix: append to data.txt while loading from ckpt
!2
· created
Feb 28, 2024
by
Ruisi Wang
CLOSED
Approved
0
updated
Feb 28, 2024