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SCM-NV
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pyZacros
Python Library for Automating Zacros Simulations
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DO NOT MERGE YET: Updates to synchronise examples and documentation with current source.
#84
ThePauliPrinciple
closed
1 year ago
0
Examples and documentation need to be synchronised with recent changes
#83
ThePauliPrinciple
closed
1 year ago
0
Load_external function for just one Zacros input
#82
lopeztarifa
closed
1 year ago
3
Neighbouring of ElementaryReactions
#81
lopeztarifa
closed
1 year ago
5
Error running CO+Pt111.py
#80
lopeztarifa
closed
1 year ago
6
Error using load_external function
#79
lopeztarifa
closed
1 year ago
2
Instantiate ZacrosJob
#78
lopeztarifa
closed
2 years ago
3
Change structure from pyzacros -> scm.pyzacros
#77
bas-rustenburg
closed
2 years ago
1
unpin package dependencies
#76
bas-rustenburg
closed
2 years ago
0
Develop
#75
nfaguirrec
closed
2 years ago
0
Develop
#74
nfaguirrec
closed
2 years ago
0
variant option in clusters is missing
#73
mbracconi
closed
2 years ago
1
Problems in the generation of state_input.dat
#72
mbracconi
closed
2 years ago
3
Update
#71
nfaguirrec
closed
2 years ago
0
Merge pull request #62 from SCM-NV/master
#70
nfaguirrec
closed
2 years ago
0
Empty site!
#69
perasperadastra
closed
2 years ago
5
Update build.yml
#68
bas-rustenburg
closed
2 years ago
0
Attempt to fix builds
#67
bas-rustenburg
closed
2 years ago
1
update-conda to false
#66
bas-rustenburg
closed
2 years ago
1
Why is __init__ in package root?
#65
stefsmeets
closed
2 years ago
5
Restructure for use with SVN checkout scripts
#64
bas-rustenburg
closed
3 years ago
1
Error in generation of simulation_input.dat
#63
mbracconi
closed
2 years ago
1
Synchronizing
#62
nfaguirrec
closed
3 years ago
0
Code cleaning
#61
nfaguirrec
closed
3 years ago
0
Develop
#60
nfaguirrec
closed
3 years ago
0
pyZacros able to read standard Zacros input files
#59
lopeztarifa
closed
3 years ago
13
Crash from formatting issue with high precision in gas energy
#58
stefsmeets
closed
3 years ago
4
Documentation
#57
stefsmeets
closed
2 years ago
2
Which licence?
#56
stefsmeets
closed
2 years ago
2
Develop
#55
nfaguirrec
closed
3 years ago
0
Develop
#54
nfaguirrec
closed
3 years ago
0
Lattice state now can use bidentate species
#53
nfaguirrec
closed
3 years ago
0
Now ZacrosResults also retrieve and plots process_statistics
#52
nfaguirrec
closed
3 years ago
0
Implement the function load_external for ZacrosJob
#51
nfaguirrec
closed
3 years ago
1
Develop
#50
nfaguirrec
closed
3 years ago
0
Develop
#49
nfaguirrec
closed
3 years ago
0
CO Tutorial: retrieve tests on classes from master
#48
lopeztarifa
closed
3 years ago
1
update the dependencies
#47
felipeZ
closed
3 years ago
0
Figure out how to insert bidentate species in mechanism_input.dat
#46
lopeztarifa
closed
3 years ago
1
Remove sett.KMCOutput.path, add KMCJob(name='Zacros')
#45
lopeztarifa
closed
4 years ago
1
Enhance classes.
#44
lopeztarifa
closed
3 years ago
0
Add the class State
#43
nfaguirrec
closed
3 years ago
1
Parser Zacros output files
#42
nfaguirrec
closed
3 years ago
1
Comparing reports within a given error.
#41
nfaguirrec
closed
4 years ago
0
Comparing Floats in Tests
#40
nfaguirrec
closed
4 years ago
0
Initial State Class
#39
nfaguirrec
closed
4 years ago
0
neighboring attribute in cluster and ElementaryReaction is redundant.
#38
lopeztarifa
closed
4 years ago
1
Enhance classes.
#37
lopeztarifa
closed
4 years ago
0
Kmc lattice from ams
#36
nfaguirrec
closed
4 years ago
0
Rate Expressions for Surface Reactions
#35
nfaguirrec
closed
3 years ago
1
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