Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / scm-nv/pyzacros issues and pull requests

#82 - Load_external function for just one Zacros input

Issue - State: closed - Opened by lopeztarifa about 2 years ago - 3 comments

#81 - Neighbouring of ElementaryReactions

Issue - State: closed - Opened by lopeztarifa about 2 years ago - 5 comments

#80 - Error running CO+Pt111.py

Issue - State: closed - Opened by lopeztarifa about 2 years ago - 6 comments

#79 - Error using load_external function

Issue - State: closed - Opened by lopeztarifa about 2 years ago - 2 comments

#78 - Instantiate ZacrosJob

Issue - State: closed - Opened by lopeztarifa over 2 years ago - 3 comments

#77 - Change structure from pyzacros -> scm.pyzacros

Pull Request - State: closed - Opened by bas-rustenburg over 2 years ago - 1 comment

#76 - unpin package dependencies

Pull Request - State: closed - Opened by bas-rustenburg over 2 years ago

#75 - Develop

Pull Request - State: closed - Opened by nfaguirrec over 2 years ago

#74 - Develop

Pull Request - State: closed - Opened by nfaguirrec over 2 years ago

#73 - variant option in clusters is missing

Issue - State: closed - Opened by mbracconi over 2 years ago - 1 comment

#72 - Problems in the generation of state_input.dat

Issue - State: closed - Opened by mbracconi over 2 years ago - 3 comments

#71 - Update

Pull Request - State: closed - Opened by nfaguirrec over 2 years ago

#70 - Merge pull request #62 from SCM-NV/master

Pull Request - State: closed - Opened by nfaguirrec over 2 years ago

#69 - Empty site!

Issue - State: closed - Opened by perasperadastra over 2 years ago - 5 comments
Labels: enhancement

#68 - Update build.yml

Pull Request - State: closed - Opened by bas-rustenburg almost 3 years ago

#67 - Attempt to fix builds

Pull Request - State: closed - Opened by bas-rustenburg about 3 years ago - 1 comment

#66 - update-conda to false

Pull Request - State: closed - Opened by bas-rustenburg about 3 years ago - 1 comment

#65 - Why is __init__ in package root?

Issue - State: closed - Opened by stefsmeets about 3 years ago - 5 comments

#64 - Restructure for use with SVN checkout scripts

Pull Request - State: closed - Opened by bas-rustenburg over 3 years ago - 1 comment

#63 - Error in generation of simulation_input.dat

Issue - State: closed - Opened by mbracconi over 3 years ago - 1 comment

#62 - Synchronizing

Pull Request - State: closed - Opened by nfaguirrec over 3 years ago

#61 - Code cleaning

Pull Request - State: closed - Opened by nfaguirrec over 3 years ago

#60 - Develop

Pull Request - State: closed - Opened by nfaguirrec over 3 years ago

#59 - pyZacros able to read standard Zacros input files

Issue - State: closed - Opened by lopeztarifa over 3 years ago - 13 comments

#58 - Crash from formatting issue with high precision in gas energy

Issue - State: closed - Opened by stefsmeets over 3 years ago - 4 comments

#57 - Documentation

Issue - State: closed - Opened by stefsmeets over 3 years ago - 2 comments

#56 - Which licence?

Issue - State: closed - Opened by stefsmeets over 3 years ago - 2 comments

#55 - Develop

Pull Request - State: closed - Opened by nfaguirrec over 3 years ago

#54 - Develop

Pull Request - State: closed - Opened by nfaguirrec over 3 years ago

#53 - Lattice state now can use bidentate species

Pull Request - State: closed - Opened by nfaguirrec over 3 years ago

#52 - Now ZacrosResults also retrieve and plots process_statistics

Pull Request - State: closed - Opened by nfaguirrec over 3 years ago

#51 - Implement the function load_external for ZacrosJob

Issue - State: closed - Opened by nfaguirrec over 3 years ago - 1 comment
Labels: enhancement

#50 - Develop

Pull Request - State: closed - Opened by nfaguirrec over 3 years ago

#49 - Develop

Pull Request - State: closed - Opened by nfaguirrec over 3 years ago

#48 - CO Tutorial: retrieve tests on classes from master

Issue - State: closed - Opened by lopeztarifa over 3 years ago - 1 comment

#47 - update the dependencies

Pull Request - State: closed - Opened by felipeZ over 3 years ago

#46 - Figure out how to insert bidentate species in mechanism_input.dat

Issue - State: closed - Opened by lopeztarifa about 4 years ago - 1 comment

#45 - Remove sett.KMCOutput.path, add KMCJob(name='Zacros')

Issue - State: closed - Opened by lopeztarifa over 4 years ago - 1 comment

#44 - Enhance classes.

Issue - State: closed - Opened by lopeztarifa over 4 years ago
Labels: enhancement

#43 - Add the class State

Issue - State: closed - Opened by nfaguirrec over 4 years ago - 1 comment

#42 - Parser Zacros output files

Issue - State: closed - Opened by nfaguirrec over 4 years ago - 1 comment

#41 - Comparing reports within a given error.

Pull Request - State: closed - Opened by nfaguirrec over 4 years ago

#41 - Comparing reports within a given error.

Pull Request - State: closed - Opened by nfaguirrec over 4 years ago

#40 - Comparing Floats in Tests

Issue - State: closed - Opened by nfaguirrec over 4 years ago

#39 - Initial State Class

Pull Request - State: closed - Opened by nfaguirrec over 4 years ago

#39 - Initial State Class

Pull Request - State: closed - Opened by nfaguirrec over 4 years ago

#38 - neighboring attribute in cluster and ElementaryReaction is redundant.

Issue - State: closed - Opened by lopeztarifa over 4 years ago - 1 comment

#38 - neighboring attribute in cluster and ElementaryReaction is redundant.

Issue - State: closed - Opened by lopeztarifa over 4 years ago - 1 comment

#37 - Enhance classes.

Pull Request - State: closed - Opened by lopeztarifa over 4 years ago
Labels: WIP

#36 - Kmc lattice from ams

Pull Request - State: closed - Opened by nfaguirrec over 4 years ago

#35 - Rate Expressions for Surface Reactions

Issue - State: closed - Opened by nfaguirrec over 4 years ago - 1 comment

#34 - Rate Expressions for Elementary Steps Involving Gas Species

Issue - State: closed - Opened by nfaguirrec over 4 years ago - 1 comment

#33 - Create a class to generate the zacros initial state (state_input.dat)

Issue - State: closed - Opened by nfaguirrec over 4 years ago - 2 comments

#32 - Improve Cluster species.

Issue - State: closed - Opened by lopeztarifa over 4 years ago - 1 comment

#31 - Move molar_fractions from Species to KMCSettings

Issue - State: closed - Opened by lopeztarifa over 4 years ago - 1 comment

#30 - Run exe

Pull Request - State: closed - Opened by lopeztarifa over 4 years ago

#29 - Build KMCLattices from a rkf file

Issue - State: closed - Opened by nfaguirrec over 4 years ago

#28 - Build Mechanisms from a rkf file

Issue - State: closed - Opened by nfaguirrec over 4 years ago

#27 - Introducing the Lattice class.

Pull Request - State: closed - Opened by lopeztarifa over 4 years ago - 1 comment

#26 - Install AMS for GitHub-Actions

Issue - State: closed - Opened by nfaguirrec over 4 years ago - 1 comment

#25 - The first trial of interactivity with PLAMS

Pull Request - State: closed - Opened by nfaguirrec over 4 years ago - 2 comments

#24 - Add multi-denticity for species

Issue - State: closed - Opened by nfaguirrec over 4 years ago

#23 - Add check mass balance in the ElementaryReaction class

Issue - State: closed - Opened by nfaguirrec over 4 years ago

#22 - Mass calculation for species

Pull Request - State: closed - Opened by nfaguirrec over 4 years ago - 2 comments

#21 - Statict to test

Pull Request - State: closed - Opened by lopeztarifa over 4 years ago

#20 - Input zacros

Pull Request - State: closed - Opened by nfaguirrec over 4 years ago - 5 comments

#19 - Calculate species' mass from their labels.

Issue - State: closed - Opened by nfaguirrec over 4 years ago

#18 - Make the class inputZacros

Issue - State: closed - Opened by nfaguirrec over 4 years ago - 3 comments

#17 - add method readFromRKF()

Issue - State: closed - Opened by nfaguirrec over 4 years ago - 1 comment

#16 - Clean workflow and testing.

Pull Request - State: closed - Opened by lopeztarifa over 4 years ago

#15 - Simplify GitHub workflow and testing.

Issue - State: closed - Opened by lopeztarifa over 4 years ago

#14 - Labels for Cluster and ElementaryReaction are now automatically set.

Pull Request - State: closed - Opened by nfaguirrec over 4 years ago - 7 comments

#13 - remove Cluster and ElementaryReaction labels

Issue - State: closed - Opened by nfaguirrec over 4 years ago

#12 - Add Lattice class

Issue - State: closed - Opened by lopeztarifa over 4 years ago

#11 - First version of Specie, Cluster and ElementaryReaction classes.

Pull Request - State: closed - Opened by nfaguirrec over 4 years ago - 2 comments

#10 - Add Cluster class.

Issue - State: closed - Opened by lopeztarifa over 4 years ago - 1 comment

#9 - Add ReactionPath class.

Issue - State: closed - Opened by lopeztarifa over 4 years ago

#8 - Add ElementaryReaction class

Issue - State: closed - Opened by lopeztarifa over 4 years ago

#7 - Add process_output()

Issue - State: closed - Opened by lopeztarifa over 4 years ago - 1 comment

#6 - Add write_input_files()

Issue - State: closed - Opened by lopeztarifa over 4 years ago - 1 comment

#5 - Merge KMC class with Job class into KMCJob, add run attribute.

Issue - State: closed - Opened by lopeztarifa over 4 years ago - 1 comment

#4 - Add fill_templates()

Issue - State: closed - Opened by lopeztarifa over 4 years ago - 1 comment

#3 - Allow pyZacros to read Zacros standard inputs.

Issue - State: closed - Opened by lopeztarifa over 4 years ago - 1 comment

#2 - Add read_input_files()

Issue - State: closed - Opened by lopeztarifa over 4 years ago - 1 comment

#1 - Add PLAMS setting class.

Issue - State: closed - Opened by lopeztarifa over 4 years ago