SimonEnsemble/Xtals.jl issues and pull requests

#198 - Automatic JuliaFormatter.jl run

Pull Request - State: open - Opened by github-actions[bot] 5 months ago
Labels: formatting, automated pr, no changelog

#197 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] 5 months ago
Labels: formatting, automated pr, no changelog

#196 - update Project.toml

Pull Request - State: closed - Opened by eahenle 5 months ago - 1 comment

#195 - CIF reader interprets whitespace lines as actual data

Issue - State: open - Opened by ahyork almost 5 years ago
Labels: bug

#194 - formatting bot fails on exogeneous PRs

Issue - State: open - Opened by eahenle about 1 year ago
Labels: formatting

#193 - Encountered a different space group variable of a VESTA cif file

Pull Request - State: closed - Opened by galjos about 1 year ago - 5 comments

#192 - allow alternate symmetry column name

Pull Request - State: closed - Opened by eahenle over 1 year ago - 1 comment

#191 - Strict requirement for `_symmetry_equiv_pos_as_xyz` column in CIF inputs

Issue - State: closed - Opened by eahenle over 1 year ago - 1 comment

#190 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] over 1 year ago
Labels: formatting, automated pr, no changelog

#189 - AbstractString

Pull Request - State: closed - Opened by eahenle over 1 year ago - 2 comments

#188 - `Crystal` fails w/ `::InlineStrings`

Issue - State: closed - Opened by eahenle almost 2 years ago

#187 - Add GitHub action "Register Package"

Pull Request - State: closed - Opened by singularitti almost 2 years ago - 2 comments

#186 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] almost 2 years ago
Labels: formatting, automated pr, no changelog

#185 - Dep changes

Pull Request - State: closed - Opened by eahenle almost 2 years ago - 1 comment

#184 - remove quick_setup.jl

Pull Request - State: closed - Opened by eahenle about 2 years ago

#183 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#182 - Get CPK colors from PeriodicTable

Pull Request - State: closed - Opened by eahenle about 2 years ago - 2 comments

#181 - Get CPK colors from PeriodicTable

Issue - State: closed - Opened by eahenle about 2 years ago

#180 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#179 - Automatic JuliaFormatter.jl run

Pull Request - State: closed - Opened by github-actions[bot] about 2 years ago
Labels: formatting, automated pr, no changelog

#178 - formatting

Pull Request - State: closed - Opened by eahenle about 2 years ago - 1 comment

#177 - test/Project.toml

Pull Request - State: closed - Opened by eahenle about 2 years ago - 1 comment

#176 - precompile

Pull Request - State: closed - Opened by eahenle about 2 years ago - 1 comment

#175 - move all python stuff to XtalsPyTools

Issue - State: closed - Opened by eahenle about 2 years ago

#174 - logo file extension

Pull Request - State: closed - Opened by eahenle about 2 years ago - 1 comment

#173 - xyz filename fix

Pull Request - State: closed - Opened by eahenle about 2 years ago - 1 comment

#172 - Save path for `write_xyz`

Issue - State: closed - Opened by eahenle about 2 years ago

#171 - more flexible data exporting

Pull Request - State: closed - Opened by eahenle about 2 years ago - 1 comment

#170 - More robust bond sanity check

Issue - State: open - Opened by eahenle over 2 years ago - 1 comment
Labels: enhancement

#169 - clean up testing console output

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

#168 - fix kwargs in write_cif

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

#167 - update warnings for bonding and overlaps

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

#166 - alternate space group field label

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

#165 - eachindex

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

#164 - Add I/O formats

Issue - State: open - Opened by eahenle over 2 years ago
Labels: enhancement

#163 - Bond assignment is not fast enough

Issue - State: open - Opened by eahenle over 2 years ago - 1 comment
Labels: enhancement

#162 - add quiet flag to write_cssr

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

#161 - Quieter init and JULIA_DEPOT as the default for `set_paths`

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

#160 - CSV compat

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

#159 - temp files

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

#158 - docs issues

Issue - State: open - Opened by eahenle over 2 years ago
Labels: documentation

#157 - Issue 138 absolute paths

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

#156 - Issue 135 docstrings

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

#155 - geometry optimization

Issue - State: open - Opened by eahenle over 2 years ago - 1 comment
Labels: enhancement

#154 - add topology info

Issue - State: open - Opened by eahenle over 2 years ago
Labels: enhancement

#153 - temporary files

Issue - State: closed - Opened by eahenle over 2 years ago

#152 - fix name clash

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

#151 - more AtomsBase compatibility

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

#150 - AtomsBase 0.2.2 name clash

Issue - State: closed - Opened by eahenle over 2 years ago

#149 - split workflows

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

#148 - compat semver fixes

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

#147 - function to rename crystal

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

#146 - move view_crystal temp file to pwd

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

#145 - AtomsBase

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

#144 - TagBot trigger issue

Issue - State: closed - Opened by JuliaTagBot almost 3 years ago - 18 comments

#143 - Aqua.jl

Pull Request - State: closed - Opened by eahenle almost 3 years ago - 1 comment

#142 - test load order

Pull Request - State: closed - Opened by eahenle almost 3 years ago - 2 comments

#141 - eliminate load redundancy

Pull Request - State: closed - Opened by eahenle almost 3 years ago - 1 comment

#140 - CI wall time limit per job

Pull Request - State: closed - Opened by eahenle almost 3 years ago - 1 comment

#138 - loading data from absolute paths

Issue - State: closed - Opened by eahenle almost 3 years ago

#137 - partial implementation of AtomsBase interface

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

#136 - Commutative addition with bonds

Pull Request - State: closed - Opened by eahenle almost 3 years ago - 1 comment

#135 - `SymmetryInfo` and `replicate` docstrings missing in docs

Issue - State: closed - Opened by eahenle almost 3 years ago - 3 comments

#134 - `+` not commutative

Issue - State: closed - Opened by eahenle almost 3 years ago

#133 - default comment

Pull Request - State: closed - Opened by eahenle almost 3 years ago - 1 comment

#132 - blank comment in .xyz files

Issue - State: closed - Opened by eahenle almost 3 years ago

#131 - cross-platform CI

Pull Request - State: closed - Opened by eahenle almost 3 years ago - 1 comment

#130 - update Dataframes compat

Pull Request - State: closed - Opened by DhairyaLGandhi about 3 years ago - 2 comments

#129 - fix ci

Pull Request - State: closed - Opened by eahenle about 3 years ago

#128 - codecov

Pull Request - State: closed - Opened by eahenle about 3 years ago - 2 comments

#127 - additional CI checks?

Issue - State: closed - Opened by eahenle about 3 years ago - 1 comment

#126 - V0.3.9

Pull Request - State: closed - Opened by eahenle about 3 years ago

#125 - Split xtalspytools

Pull Request - State: closed - Opened by eahenle about 3 years ago

#124 - Update Project.toml

Pull Request - State: closed - Opened by thazhemadam about 3 years ago

#123 - Project compat - CSV

Issue - State: closed - Opened by thazhemadam about 3 years ago

#122 - Tests and Python Dependencies

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

#121 - CI fixer upper

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

#120 - Light graphs to graphs

Pull Request - State: closed - Opened by eahenle about 3 years ago

#119 - migrate

Pull Request - State: closed - Opened by eahenle about 3 years ago

#118 - update to using `Graphs`

Issue - State: closed - Opened by SimonEnsemble about 3 years ago

#117 - codecov

Issue - State: closed - Opened by eahenle about 3 years ago

#116 - ci workflow

Pull Request - State: closed - Opened by eahenle about 3 years ago

#115 - bonds for `Atoms`

Pull Request - State: closed - Opened by eahenle about 3 years ago

#114 - Split symmetry equiv pos on tabs

Pull Request - State: closed - Opened by eahenle about 3 years ago

#113 - The `Crystal` function fails when there are Tabs in the `.cif`

Issue - State: closed - Opened by ngantzler about 3 years ago

#112 - Tests on PRs

Issue - State: closed - Opened by eahenle about 3 years ago

#111 - Ci migration

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

#110 - PoreMatMod CI cross-test fails

Issue - State: closed - Opened by eahenle about 3 years ago

#109 - cron job: Pkg.add("Xtals")

Issue - State: closed - Opened by eahenle about 3 years ago

#108 - migrate to GitLab CI

Issue - State: closed - Opened by eahenle about 3 years ago

#107 - Dep cross testing

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

#106 - automatically test key ecosystem packages against new versions

Issue - State: closed - Opened by eahenle about 3 years ago

#105 - Slice props

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

#104 - `getindex` returns new type

Pull Request - State: closed - Opened by rkurchin about 3 years ago - 3 comments

#103 - Docstring fix

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

#102 - Can `getindex(Atoms, i)` return a different type?

Issue - State: closed - Opened by rkurchin about 3 years ago - 4 comments

#101 - Allow vectors of indices while computing distance

Pull Request - State: closed - Opened by DhairyaLGandhi about 3 years ago - 7 comments

#100 - `write_bond_information`: show periodic bonds

Issue - State: open - Opened by SimonEnsemble about 3 years ago - 1 comment

#99 - function to change xtal.name?

Issue - State: closed - Opened by eahenle about 3 years ago

#98 - `view_crystal` does not work when invoked via reexport

Issue - State: open - Opened by eahenle over 3 years ago - 1 comment
Labels: bug

GitHub / SimonEnsemble/Xtals.jl issues and pull requests