SCM-NV pyZacros issues - Githubissues

SCM-NV / pyZacros

Python Library for Automating Zacros Simulations

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Rate Expressions for Elementary Steps Involving Gas Species

#34 nfaguirrec closed 3 years ago
1
Create a class to generate the zacros initial state (state_input.dat)

#33 nfaguirrec closed 4 years ago
2
Improve Cluster species.

#32 lopeztarifa closed 4 years ago
1
Move molar_fractions from Species to KMCSettings

#31 lopeztarifa closed 4 years ago
1
Run exe

#30 lopeztarifa closed 4 years ago
0
Build KMCLattices from a rkf file

#29 nfaguirrec closed 4 years ago
0
Build Mechanisms from a rkf file

#28 nfaguirrec closed 4 years ago
0
Introducing the Lattice class.

#27 lopeztarifa closed 4 years ago
1
Install AMS for GitHub-Actions

#26 nfaguirrec closed 4 years ago
1
The first trial of interactivity with PLAMS

#25 nfaguirrec closed 4 years ago
2
Add multi-denticity for species

#24 nfaguirrec closed 4 years ago
0
Add check mass balance in the ElementaryReaction class

#23 nfaguirrec closed 4 years ago
0
Mass calculation for species

#22 nfaguirrec closed 4 years ago
2
Statict to test

#21 lopeztarifa closed 4 years ago
0
Input zacros

#20 nfaguirrec closed 4 years ago
5
Calculate species' mass from their labels.

#19 nfaguirrec closed 4 years ago
0
Make the class inputZacros

#18 nfaguirrec closed 4 years ago
3
add method readFromRKF()

#17 nfaguirrec closed 4 years ago
1
Clean workflow and testing.

#16 lopeztarifa closed 4 years ago
0
Simplify GitHub workflow and testing.

#15 lopeztarifa closed 4 years ago
0
Labels for Cluster and ElementaryReaction are now automatically set.

#14 nfaguirrec closed 4 years ago
7
remove Cluster and ElementaryReaction labels

#13 nfaguirrec closed 4 years ago
0
Add Lattice class

#12 lopeztarifa closed 4 years ago
0
First version of Specie, Cluster and ElementaryReaction classes.

#11 nfaguirrec closed 4 years ago
2
Add Cluster class.

#10 lopeztarifa closed 4 years ago
1
Add ReactionPath class.

#9 lopeztarifa closed 4 years ago
0
Add ElementaryReaction class

#8 lopeztarifa closed 4 years ago
0
Add process_output()

#7 lopeztarifa closed 4 years ago
1
Add write_input_files()

#6 lopeztarifa closed 4 years ago
1
Merge KMC class with Job class into KMCJob, add run attribute.

#5 lopeztarifa closed 4 years ago
1
Add fill_templates()

#4 lopeztarifa closed 4 years ago
1
Allow pyZacros to read Zacros standard inputs.

#3 lopeztarifa closed 3 years ago
1
Add read_input_files()

#2 lopeztarifa closed 4 years ago
1
Add PLAMS setting class.

#1 lopeztarifa closed 4 years ago
0