Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / JuliaMolSim/AtomsBase.jl issues and pull requests
#115 - Revisit ChemicalSpecies
Issue -
State: open - Opened by cortner 27 days ago
- 4 comments
#114 - Several Minor Bugfixes
Pull Request -
State: open - Opened by cortner 28 days ago
- 6 comments
#113 - Some ChemicalSpecies constructors create nneut=0
Issue -
State: closed - Opened by cortner 28 days ago
- 1 comment
#112 - atomic_number(::Int16) is undefined
Issue -
State: closed - Opened by cortner 29 days ago
- 1 comment
#111 - FlexibleSystem should deprecate `:atomic_mass`
Issue -
State: open - Opened by cortner 29 days ago
#110 - Should atomic_symbol return `Symbol` or `ChemicalSpecies` ?
Issue -
State: open - Opened by cortner 29 days ago
- 2 comments
#109 - AbstractSystem not exported any more in v0.4
Issue -
State: closed - Opened by mfherbst about 1 month ago
- 9 comments
#108 - Ascii and visualisation
Issue -
State: open - Opened by mfherbst about 1 month ago
- 1 comment
#107 - Interface and Docs Updates for v0.4.x
Pull Request -
State: closed - Opened by cortner 2 months ago
- 22 comments
#106 - Interface Update v0.4.x
Issue -
State: closed - Opened by cortner 3 months ago
- 40 comments
#105 - Fix testing of isolated systems
Pull Request -
State: closed - Opened by mfherbst 3 months ago
#104 - test_approx_eq fails for isolated molecules
Issue -
State: closed - Opened by tjjarvinen 4 months ago
#103 - Docs: clarify ambiguity of dimension D
Pull Request -
State: closed - Opened by cortner 4 months ago
- 1 comment
#102 - Avoid use of getters with symbols
Issue -
State: closed - Opened by cortner 5 months ago
- 3 comments
#101 - WIP: Towards Type Stability
Pull Request -
State: closed - Opened by cortner 5 months ago
- 11 comments
#100 - Introduce `mass`
Issue -
State: closed - Opened by cortner 5 months ago
- 2 comments
#99 - Introduce Cell types
Issue -
State: closed - Opened by cortner 5 months ago
- 5 comments
#98 - Working Unitless
Issue -
State: closed - Opened by cortner 5 months ago
- 3 comments
#97 - Boundary Conditions
Issue -
State: closed - Opened by cortner 5 months ago
- 8 comments
#96 - Bump julia-actions/cache from 1 to 2
Pull Request -
State: closed - Opened by dependabot[bot] 5 months ago
Labels: dependencies
#95 - subsystem function?
Issue -
State: open - Opened by rkurchin 6 months ago
#94 - Bump julia-actions/setup-julia from 1 to 2
Pull Request -
State: closed - Opened by dependabot[bot] 6 months ago
Labels: dependencies
#93 - Bump codecov/codecov-action from 3 to 4
Pull Request -
State: closed - Opened by dependabot[bot] 8 months ago
Labels: dependencies
#92 - `visualize_ascii` on unit test case is broken
Issue -
State: open - Opened by rkurchin 9 months ago
- 2 comments
Labels: bug
#91 - Make some functions more AD friendly
Pull Request -
State: open - Opened by DhairyaLGandhi 11 months ago
- 10 comments
#90 - add bonds to AbstractSystem
Pull Request -
State: open - Opened by ejmeitz 11 months ago
- 1 comment
#89 - Consider extending `==` on `Atom`, `FlexibleSystem` with `StructEquality.jl`?
Issue -
State: open - Opened by singularitti 12 months ago
- 11 comments
#88 - Clarify testing documentation
Pull Request -
State: closed - Opened by mfherbst 12 months ago
#87 - Adding support for bonds
Issue -
State: open - Opened by ejmeitz 12 months ago
- 31 comments
#86 - WIP: Prototypes for Calculators
Pull Request -
State: closed - Opened by cortner about 1 year ago
- 10 comments
#85 - [WIP] Prototypes for Energy, Forces, Virials
Pull Request -
State: closed - Opened by cortner about 1 year ago
- 11 comments
#84 - Energies, Forces, Etc
Issue -
State: closed - Opened by cortner about 1 year ago
- 42 comments
#83 - Display is too rich as default
Issue -
State: open - Opened by cortner about 1 year ago
- 8 comments
#82 - Disable printing for cells with negative vectors
Pull Request -
State: closed - Opened by mfherbst about 1 year ago
#81 - Bump actions/checkout from 3 to 4
Pull Request -
State: closed - Opened by dependabot[bot] about 1 year ago
Labels: dependencies
#80 - add AutoBZCore to readme
Pull Request -
State: closed - Opened by lxvm about 1 year ago
- 1 comment
#79 - Fix system comparison edge case
Pull Request -
State: closed - Opened by mfherbst about 1 year ago
#78 - Utility to access optional AtomsBase keys (e.g. charge)
Issue -
State: open - Opened by ejmeitz about 1 year ago
- 2 comments
#77 - Element symbol function
Pull Request -
State: closed - Opened by mfherbst about 1 year ago
#76 - Improve chemical formula
Pull Request -
State: closed - Opened by mfherbst about 1 year ago
#75 - ra
Pull Request -
State: closed - Opened by jamesthesnake over 1 year ago
#74 - AtomView and system getindex
Issue -
State: closed - Opened by ejmeitz over 1 year ago
- 5 comments
#73 - Add :diagonal option to test_approx_equal
Pull Request -
State: closed - Opened by ejmeitz over 1 year ago
- 7 comments
#72 - Nicer error message for string-based element lookup
Pull Request -
State: closed - Opened by mfherbst over 1 year ago
- 2 comments
#71 - Element can't be found when using String for AtomID
Issue -
State: closed - Opened by louisponet over 1 year ago
- 4 comments
#70 - Add plain-text and html-style graphical representation of structures to AtomsBase
Pull Request -
State: closed - Opened by mfherbst over 1 year ago
- 1 comment
#69 - Add AtomsBaseTesting subpackage
Pull Request -
State: closed - Opened by mfherbst over 1 year ago
- 1 comment
#68 - Make AtomView rely on struct-of-array format
Pull Request -
State: closed - Opened by Liozou over 1 year ago
- 1 comment
#67 - Slicing support
Pull Request -
State: closed - Opened by rashidrafeek over 1 year ago
- 2 comments
#66 - Rename getkey to get and fix it
Pull Request -
State: closed - Opened by mfherbst over 1 year ago
#65 - Export optional system and atoms property keys and their units
Issue -
State: open - Opened by mfherbst over 1 year ago
#64 - add CITATION.cff file
Pull Request -
State: closed - Opened by rkurchin over 1 year ago
- 2 comments
#63 - Another `FastSystem` constructor
Pull Request -
State: open - Opened by rkurchin over 1 year ago
- 4 comments
#62 - Update github actions
Pull Request -
State: closed - Opened by mfherbst over 1 year ago
#61 - Key-based property interface
Pull Request -
State: closed - Opened by mfherbst almost 2 years ago
#60 - Atom constructor fix
Pull Request -
State: closed - Opened by mfherbst almost 2 years ago
#59 - Convenient functions for extending / dropping dimensions
Issue -
State: open - Opened by mfherbst almost 2 years ago
#58 - More detailed printing and extended docs
Pull Request -
State: closed - Opened by mfherbst almost 2 years ago
- 1 comment
#57 - FlexibleSystem is missing a propertynames implementation
Issue -
State: open - Opened by mfherbst almost 2 years ago
- 1 comment
#56 - Added routine `data(system)` to get arbitrary data of the system
Pull Request -
State: closed - Opened by JanHab almost 2 years ago
- 10 comments
#55 - added interface for data
Pull Request -
State: closed - Opened by JanHab about 2 years ago
- 3 comments
#54 - New pull
Pull Request -
State: closed - Opened by jamesthesnake about 2 years ago
#53 - Store arbitrary data in Flexible System
Pull Request -
State: closed - Opened by JanHab about 2 years ago
#52 - Fix Atom() function call typo
Pull Request -
State: closed - Opened by jty-computation about 2 years ago
- 1 comment
#51 - `add_atom`/`remove_atom` functions, example with mutability?
Issue -
State: open - Opened by rkurchin about 2 years ago
- 2 comments
#50 - Library of examples
Issue -
State: open - Opened by rkurchin about 2 years ago
- 1 comment
Labels: documentation
#49 - Chemical Element
Issue -
State: closed - Opened by cortner about 2 years ago
- 12 comments
#48 - Visualizing molecules and simulations
Issue -
State: open - Opened by chemicalfiend over 2 years ago
- 4 comments
#47 - Fixed broken link in README
Pull Request -
State: closed - Opened by chemicalfiend over 2 years ago
- 1 comment
#46 - `show` for `FastSystem` and improved tests
Pull Request -
State: closed - Opened by rashidrafeek over 2 years ago
- 1 comment
#45 - add packages using AtomsBase
Pull Request -
State: closed - Opened by rkurchin over 2 years ago
#44 - Generating bicrystals using CSL for bounding box
Issue -
State: open - Opened by stefanbringuier over 2 years ago
- 2 comments
#43 - Supporting "arbitrary" properties
Issue -
State: open - Opened by rkurchin over 2 years ago
- 32 comments
#42 - Fix docs deployment
Pull Request -
State: closed - Opened by jgreener64 over 2 years ago
- 3 comments
#41 - Fix broken link to documentation
Pull Request -
State: closed - Opened by jameskermode over 2 years ago
- 3 comments
#40 - Interfacing extended XYZ readers and writers for AtomsBase
Issue -
State: closed - Opened by jameskermode over 2 years ago
- 12 comments
#39 - Basic printing for atomic structures
Pull Request -
State: closed - Opened by mfherbst over 2 years ago
- 2 comments
#38 - Fix StackOverFlowError when constructing from Vector{Any}
Pull Request -
State: closed - Opened by mfherbst over 2 years ago
- 1 comment
Labels: bug
#37 - Add documenter deployment
Pull Request -
State: closed - Opened by mfherbst over 2 years ago
- 1 comment
#36 - Initial version of docs from README
Pull Request -
State: closed - Opened by rashidrafeek over 2 years ago
- 5 comments
#35 - should there be a `distance` method?
Issue -
State: open - Opened by rkurchin over 2 years ago
- 2 comments
Labels: enhancement, question
#34 - Refactor species and atoms
Pull Request -
State: closed - Opened by mfherbst almost 3 years ago
- 1 comment
#33 - Dynamic properties for `StaticAtom`
Issue -
State: closed - Opened by mfherbst almost 3 years ago
#32 - remove Base.show dispatch
Pull Request -
State: closed - Opened by rkurchin almost 3 years ago
- 1 comment
#31 - make sure AtomsBase plays nice with Crystalline.jl/Bravais.jl
Issue -
State: open - Opened by rkurchin almost 3 years ago
- 4 comments
#30 - TagBot trigger issue
Issue -
State: closed - Opened by JuliaTagBot almost 3 years ago
- 61 comments
#29 - Should slicing work? If so, what should it do?
Issue -
State: closed - Opened by rkurchin almost 3 years ago
- 3 comments
Labels: question
#28 - Should we add `mass` and `momentum` functions?
Issue -
State: open - Opened by rkurchin almost 3 years ago
- 1 comment
Labels: question
#27 - Improve convenience constructors for included implementations
Issue -
State: open - Opened by rkurchin almost 3 years ago
- 1 comment
Labels: enhancement
#26 - best names for `FastSystem` and `FlexibleSystem`?
Issue -
State: open - Opened by rkurchin almost 3 years ago
- 1 comment
Labels: question
#25 - What type parameters should `AbstractSystem` have?
Issue -
State: closed - Opened by rkurchin almost 3 years ago
- 11 comments
Labels: question
#24 - Support Cartesian indexing
Issue -
State: open - Opened by rkurchin almost 3 years ago
- 1 comment
Labels: enhancement
#23 - simplify types
Pull Request -
State: closed - Opened by rkurchin almost 3 years ago
- 3 comments
#22 - add some more tests
Issue -
State: closed - Opened by rkurchin almost 3 years ago
#21 - GitHub Actions for autobuild, TagBot and CompatHelper
Pull Request -
State: closed - Opened by jgreener64 almost 3 years ago
- 1 comment
#20 - add `_list` suffix to function names when applied to system
Pull Request -
State: closed - Opened by rkurchin almost 3 years ago
- 4 comments
#19 - we should add docstrings
Issue -
State: closed - Opened by rkurchin almost 3 years ago
Labels: documentation
#18 - `position` conflicts with `Base.position`
Issue -
State: closed - Opened by rashidrafeek almost 3 years ago
- 7 comments
#17 - What is the scope of this package?
Issue -
State: closed - Opened by rashidrafeek almost 3 years ago
- 3 comments
#16 - Don't enforce Unitful coordinates
Pull Request -
State: closed - Opened by rashidrafeek almost 3 years ago
- 5 comments