issues
search
FermiQC
/
Molecules.jl
Library that handles atom structures as XYZ files and properties derived from it.
MIT License
13
stars
10
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
Removing Formatting.jl dependency + small fixes
#27
lukas-weber
closed
1 month ago
2
Patches for Symmetry Integrals
#26
sgoodlett
closed
2 years ago
2
New parametric types and StaticArrays
#25
gustavojra
closed
2 years ago
1
new README
#24
gustavojra
closed
2 years ago
2
Symmetry TODO list
#23
sgoodlett
opened
2 years ago
2
Documentation
#22
gustavojra
opened
2 years ago
1
Molecules now has `Molecules`s
#21
gustavojra
closed
2 years ago
3
ZMAT and different coordinate systems
#20
gustavojra
opened
2 years ago
0
Thermo properties
#19
gustavojra
opened
2 years ago
0
Rotational Properties
#18
gustavojra
opened
2 years ago
0
Symmetry could use some comments
#17
gustavojra
opened
2 years ago
0
fixed nuclear repulsion gradient
#16
hfmull
closed
2 years ago
2
Improve README
#15
gustavojra
opened
2 years ago
0
Atom struct simplified
#14
gustavojra
closed
2 years ago
4
More tests
#13
sgoodlett
closed
2 years ago
1
Merging Symmetry.jl and Molecules.jl
#12
sgoodlett
closed
2 years ago
2
Dipole moment function
#11
gustavojra
closed
2 years ago
1
Added point group recognition
#10
sgoodlett
closed
3 years ago
1
Chemical formula
#9
gustavojra
opened
3 years ago
0
New features
#8
gustavojra
closed
3 years ago
0
`rotation_matrix` working?
#7
gustavojra
closed
3 years ago
4
CompatHelper: add new compat entry for "Formatting" at version "0.4"
#6
github-actions[bot]
closed
3 years ago
0
Added rotations and reflections and such
#5
sgoodlett
closed
3 years ago
1
A possibly faster Atom struct
#4
diegozea
closed
2 years ago
3
TagBot trigger issue
#3
JuliaTagBot
closed
3 years ago
6
Center of mass and translate operation added
#2
gustavojra
closed
3 years ago
1
Starting up symmetry pkg
#1
sgoodlett
closed
3 years ago
1