issues
search
FermiQC
/
Fermi.jl
Fermi quantum chemistry program
MIT License
135
stars
24
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Using RHF as a guess to new RHF is broken
#40
gustavojra
closed
3 years ago
2
Major improvement to ecCC
#39
gustavojra
closed
4 years ago
1
fix BCC
#38
mdav2
closed
4 years ago
0
Update docs, add some tests
#37
mdav2
closed
4 years ago
0
infrastructure updates
#36
mdav2
closed
4 years ago
0
CompatHelper: bump compat for "Lints" to "0.3"
#35
github-actions[bot]
closed
4 years ago
0
Improving Coupled Cluster Efficiency
#34
adabbott
closed
2 years ago
4
bugfixes and CI
#33
mdav2
closed
4 years ago
2
Travis CI setup
#32
mdav2
closed
4 years ago
0
Cluster decomposition is too slow
#31
mdav2
closed
4 years ago
1
add tensoroperations to Fermi.contract, add option to use TBLIS vs. TO
#30
mdav2
closed
3 years ago
1
Docs are way out of date
#29
mdav2
closed
2 years ago
1
can't pass arguments to `@energy`
#28
mdav2
closed
4 years ago
3
This one is a chonker
#27
mdav2
closed
4 years ago
0
@energy is picky
#26
gustavojra
closed
4 years ago
3
CASDecom not working if drop_occ != cas_frozen
#25
gustavojra
closed
4 years ago
2
Improvements to CASDecomp
#24
gustavojra
closed
4 years ago
0
Add DF-HF
#23
mdav2
closed
4 years ago
0
hf
#22
mdav2
closed
4 years ago
0
ecCCSD(T) working
#21
gustavojra
closed
4 years ago
0
Clean up
#20
gustavojra
closed
4 years ago
0
Molecule fixed. ec(T) rolled back
#19
gustavojra
closed
4 years ago
0
minor improvements to RHF and ACI
#18
mdav2
closed
4 years ago
0
minor improvements to ACI code
#17
mdav2
closed
4 years ago
0
Changes on ecCC to accomodate ACI
#16
gustavojra
closed
4 years ago
0
"stable" ACI version
#15
mdav2
closed
4 years ago
0
ACI updated
#14
gustavojra
closed
4 years ago
0
fix DIIS, I think CCSD is working again
#13
mdav2
closed
4 years ago
0
More fun macros
#12
gustavojra
closed
4 years ago
0
Changes to FPA
#11
gustavojra
closed
4 years ago
0
DIIS working for CCSD
#10
mdav2
closed
4 years ago
0
fix complex number thing
#9
mdav2
closed
4 years ago
0
Add general DIIS functionality, SCF-DIIS validated and working
#8
mdav2
closed
4 years ago
0
Major additions
#7
gustavojra
closed
4 years ago
0
RHF Updated
#6
gustavojra
closed
4 years ago
0
Complex Numbers??
#5
gustavojra
closed
4 years ago
1
Restructure of Methods
#4
gustavojra
closed
4 years ago
0
Integrals Abstract Types
#3
gustavojra
closed
4 years ago
0
add CC skeleton
#2
mdav2
closed
4 years ago
0
Clean up
#1
gustavojra
closed
4 years ago
0
Previous