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SimonEnsemble
/
Xtals.jl
working with crystal structures
MIT License
21
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5
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Automatic JuliaFormatter.jl run
#198
github-actions[bot]
opened
2 months ago
0
Automatic JuliaFormatter.jl run
#197
github-actions[bot]
closed
2 months ago
0
update Project.toml
#196
eahenle
closed
2 months ago
1
formatting bot fails on exogeneous PRs
#194
eahenle
opened
1 year ago
0
Encountered a different space group variable of a VESTA cif file
#193
galjos
closed
1 year ago
5
allow alternate symmetry column name
#192
eahenle
closed
1 year ago
1
Strict requirement for `_symmetry_equiv_pos_as_xyz` column in CIF inputs
#191
eahenle
closed
1 year ago
1
Automatic JuliaFormatter.jl run
#190
github-actions[bot]
closed
1 year ago
0
AbstractString
#189
eahenle
closed
1 year ago
2
`Crystal` fails w/ `::InlineStrings`
#188
eahenle
closed
1 year ago
0
Add GitHub action "Register Package"
#187
singularitti
closed
1 year ago
2
Automatic JuliaFormatter.jl run
#186
github-actions[bot]
closed
1 year ago
0
Dep changes
#185
eahenle
closed
1 year ago
1
remove quick_setup.jl
#184
eahenle
closed
1 year ago
0
Automatic JuliaFormatter.jl run
#183
github-actions[bot]
closed
1 year ago
0
Get CPK colors from PeriodicTable
#182
eahenle
closed
1 year ago
2
Get CPK colors from PeriodicTable
#181
eahenle
closed
1 year ago
0
Automatic JuliaFormatter.jl run
#180
github-actions[bot]
closed
1 year ago
0
Automatic JuliaFormatter.jl run
#179
github-actions[bot]
closed
1 year ago
0
formatting
#178
eahenle
closed
1 year ago
1
test/Project.toml
#177
eahenle
closed
1 year ago
1
precompile
#176
eahenle
closed
1 year ago
1
move all python stuff to XtalsPyTools
#175
eahenle
closed
1 year ago
0
logo file extension
#174
eahenle
closed
1 year ago
1
xyz filename fix
#173
eahenle
closed
1 year ago
1
Save path for `write_xyz`
#172
eahenle
closed
1 year ago
0
more flexible data exporting
#171
eahenle
closed
2 years ago
1
More robust bond sanity check
#170
eahenle
opened
2 years ago
1
clean up testing console output
#169
eahenle
closed
2 years ago
1
fix kwargs in write_cif
#168
eahenle
closed
2 years ago
1
update warnings for bonding and overlaps
#167
eahenle
closed
2 years ago
0
alternate space group field label
#166
eahenle
closed
2 years ago
0
eachindex
#165
eahenle
closed
2 years ago
0
Add I/O formats
#164
eahenle
opened
2 years ago
0
Bond assignment is not fast enough
#163
eahenle
opened
2 years ago
1
add quiet flag to write_cssr
#162
eahenle
closed
2 years ago
0
Quieter init and JULIA_DEPOT as the default for `set_paths`
#161
ven-k
closed
2 years ago
4
CSV compat
#160
eahenle
closed
2 years ago
1
temp files
#159
eahenle
closed
2 years ago
0
docs issues
#158
eahenle
opened
2 years ago
0
Issue 138 absolute paths
#157
eahenle
closed
2 years ago
0
Issue 135 docstrings
#156
eahenle
closed
2 years ago
0
geometry optimization
#155
eahenle
opened
2 years ago
1
add topology info
#154
eahenle
opened
2 years ago
0
temporary files
#153
eahenle
closed
2 years ago
0
fix name clash
#152
eahenle
closed
2 years ago
0
more AtomsBase compatibility
#151
eahenle
closed
2 years ago
2
AtomsBase 0.2.2 name clash
#150
eahenle
closed
2 years ago
0
split workflows
#149
eahenle
closed
2 years ago
1
compat semver fixes
#148
eahenle
closed
2 years ago
1
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