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rmrresearch
/
GhostFragment
Library focused on fragment-based methods and basis-set superposition corrections
https://rmrresearch.github.io/GhostFragment/
Apache License 2.0
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Export property types
#65
jlheflin
opened
1 week ago
0
Bond based fragmentation bug
#64
jlheflin
opened
3 weeks ago
0
Copy hydrocarbon files to hydrocarbon module in GhostFragment
#63
jlheflin
closed
4 weeks ago
3
Removed incrementation from compute_intersections call
#62
jlheflin
closed
1 month ago
1
Crash occurs when changing 'n' parameter in 'Fragment Driver'
#61
jlheflin
opened
2 months ago
1
[WIP] Revive Project
#60
ryanmrichard
closed
3 months ago
0
Gebf lit
#59
ryanmrichard
closed
8 months ago
0
Docs
#58
ryanmrichard
closed
1 year ago
1
Engine
#57
wthayes
closed
1 year ago
0
Fix warnings
#56
ryanmrichard
closed
1 year ago
0
Fixes the Documentation Deployment
#55
ryanmrichard
closed
1 year ago
0
Fig rework
#54
ryanmrichard
closed
1 year ago
0
InputQueue
#53
ivanorman
closed
1 year ago
0
Intersection Finder
#52
wthayes
closed
1 year ago
0
Engine
#51
ryanmrichard
opened
1 year ago
0
InputQueue Maker
#50
ryanmrichard
opened
1 year ago
0
Dimer Maker
#49
ivanorman
closed
1 year ago
2
Intersection Finder
#48
ryanmrichard
opened
1 year ago
0
Dimer maker
#47
ryanmrichard
closed
1 year ago
0
Charge/mult assigners
#46
wthayes
closed
1 year ago
0
Re-enable fragment driver
#45
ivanorman
closed
1 year ago
0
Charge/Mult Driver
#44
ryanmrichard
closed
1 year ago
0
Create FragmentedSystem driver
#43
ryanmrichard
opened
1 year ago
0
Heavy atom
#42
wthayes
closed
1 year ago
0
Refactoring Heavy Atom
#41
wthayes
closed
1 year ago
2
Bond-Based Fragmenter
#40
ivanorman
closed
1 year ago
1
Bond-Based Fragmenter
#39
ivanorman
closed
1 year ago
0
Fragment pts
#38
ryanmrichard
closed
1 year ago
0
Re-enable fragment driver
#37
ryanmrichard
closed
1 year ago
0
Refactor HeavyAtom
#36
ryanmrichard
closed
1 year ago
0
Bond-based fragmenter
#35
ryanmrichard
closed
1 year ago
0
Weighted Distance Testing
#34
wthayes
closed
1 year ago
0
DCLC Capping
#33
ivanorman
closed
1 year ago
0
fixes bug I introduced.
#32
ryanmrichard
closed
1 year ago
0
Broken Bond Module
#31
wthayes
closed
1 year ago
0
DCLC Capping
#30
ryanmrichard
closed
1 year ago
0
Implement Weighted Distance
#29
ryanmrichard
closed
1 year ago
0
Single Atom Tests
#28
github-actions[bot]
closed
1 year ago
0
Re-enable Single Atom Capping
#27
ryanmrichard
closed
1 year ago
0
Reenables Connectivity Modules
#26
ryanmrichard
closed
1 year ago
0
Generate Capping Answer
#25
ryanmrichard
closed
1 year ago
0
Generate Inputs
#24
ryanmrichard
closed
1 year ago
1
BrokenBond module
#23
ryanmrichard
closed
1 year ago
1
Hydrocarbon generator
#22
wthayes
closed
1 year ago
0
Hydrocarbon Creator
#21
wthayes
closed
1 year ago
0
Find Capping algorihms
#20
ryanmrichard
closed
1 year ago
0
Compiles again
#19
ryanmrichard
closed
1 year ago
0
Hydrocarbon generator
#18
ryanmrichard
closed
1 year ago
1
Developer Documentation
#17
ryanmrichard
closed
1 year ago
0
Python API
#16
ryanmrichard
closed
1 year ago
0
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