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susilehtola
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OpenOrbitalOptimizer
Open Orbital Optimizer
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Improved DIIS of Hu et al
#15
susilehtola
opened
1 week ago
0
Mkdocs
#14
loriab
closed
4 months ago
3
Collect in one place and improve the convex weight routines
#13
susilehtola
opened
4 months ago
0
Implement optimal damping algorithm (ODA)
#12
susilehtola
opened
4 months ago
0
namespaced option to turn off tests
#11
loriab
closed
4 months ago
0
WIP: Optimal damping algorithm
#10
susilehtola
opened
4 months ago
0
find_package-ready
#9
loriab
closed
4 months ago
0
Gha
#8
loriab
closed
5 months ago
0
gha
#7
loriab
closed
5 months ago
0
Cmake
#6
loriab
closed
5 months ago
0
Implement proper tests
#5
susilehtola
opened
7 months ago
1
Design decisions: access to parameters
#4
susilehtola
opened
7 months ago
0
Design decisions: how to handle output?
#3
susilehtola
opened
7 months ago
0
Design decisions: header-only or compiled?
#2
susilehtola
opened
7 months ago
1
CMake Build System Breaks Containment
#1
wavefunction91
opened
7 months ago
7