issues
search
valence-labs
/
mess
MESS: Modern Electronic Structure Simulations
https://valence-labs.github.io/mess/
MIT License
13
stars
1
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
adding benzene and methane to molecule factory to remove from_pyquante
#18
hatemhelal
opened
2 days ago
0
Cache orbitals when constructing basis set
#17
hatemhelal
opened
3 days ago
0
Interesting functionals to implement
#16
FNTwin
opened
6 days ago
0
removing workaround
#15
hatemhelal
closed
1 week ago
0
Pin pyscf version
#14
hatemhelal
closed
1 week ago
0
Removing implicit tabulate dependency
#13
hatemhelal
closed
1 week ago
0
xcfunctional tests failing following PySCF v2.7.0 release
#12
hatemhelal
opened
1 week ago
1
Update python version used in pre-commit + autoupdate
#11
hatemhelal
closed
1 week ago
2
Revisit tabulate usage in basis module
#10
hatemhelal
closed
1 week ago
0
Update README.md
#9
FNTwin
opened
1 week ago
0
Replacement implementation for `from_pyquante`
#8
hatemhelal
opened
1 week ago
0
Removing PyQuante2 for packaging
#7
FNTwin
closed
1 week ago
1
Switch actions
#6
FNTwin
closed
1 week ago
0
Release action
#5
FNTwin
closed
1 week ago
2
Packaging MESS for PyPI and conda
#4
hatemhelal
opened
1 week ago
2
Add baseline performance benchmark for basis and Hamiltonian construction tasks
#3
hatemhelal
opened
1 week ago
0
Basis set orbitals are not linked to atoms in a structure
#2
hatemhelal
opened
1 week ago
0
New home for MESS
#1
hatemhelal
closed
1 week ago
0