Issues
- 18
TagBot trigger issue
#144 opened by JuliaTagBot - 0
add topology info
#154 opened by eahenle - 1
geometry optimization
#155 opened by eahenle - 0
docs issues
#158 opened by eahenle - 1
Bond assignment is not fast enough
#163 opened by eahenle - 0
Add I/O formats
#164 opened by eahenle - 1
More robust bond sanity check
#170 opened by eahenle - 0
formatting bot fails on exogeneous PRs
#194 opened by eahenle - 1
- 0
`Crystal` fails w/ `::InlineStrings`
#188 opened by eahenle - 0
move all python stuff to XtalsPyTools
#175 opened by eahenle - 0
Get CPK colors from PeriodicTable
#181 opened by eahenle - 0
Save path for `write_xyz`
#172 opened by eahenle - 1
- 0
temporary files
#153 opened by eahenle - 0
loading data from absolute paths
#138 opened by eahenle - 3
- 4
Can `getindex(Atoms, i)` return a different type?
#102 opened by rkurchin - 0
AtomsBase 0.2.2 name clash
#150 opened by eahenle - 0
function to change xtal.name?
#99 opened by eahenle - 0
`view_crystal` missing temp file
#97 opened by eahenle - 1
additional CI checks?
#127 opened by eahenle - 0
`+` not commutative
#134 opened by eahenle - 0
blank comment in .xyz files
#132 opened by eahenle - 0
- 3
Tests and Python Dependencies
#122 opened by thazhemadam - 0
Project compat - CSV
#123 opened by thazhemadam - 0
update to using `Graphs`
#118 opened by SimonEnsemble - 0
cron job: Pkg.add("Xtals")
#109 opened by eahenle - 0
Tests on PRs
#112 opened by eahenle - 0
- 0
- 0
migrate to GitLab CI
#108 opened by eahenle - 0
PoreMatMod CI cross-test fails
#110 opened by eahenle - 1
`write_bond_information`: show periodic bonds
#100 opened by SimonEnsemble - 0
- 1
change get_bond_angle
#93 opened by eahenle - 1
change bond angle calculation
#94 opened by eahenle - 0
empty loop_ for _symmetry_equiv_pos_as_xyz
#95 opened by eahenle - 0
make bond vectors optional
#90 opened by eahenle - 0
export load_pydep
#88 opened by eahenle - 0
name and path issues in `primitive_cell`
#89 opened by eahenle - 0
too many paths
#84 opened by eahenle - 2
register version 0.3.0
#79 opened by eahenle - 1
charges not read correctly from .cif
#78 opened by eahenle - 0
primitive unit cell?
#67 opened by eahenle - 0
incorporate doctests
#58 opened by eahenle - 0
- 1
wrap!(Crystal) cross-boundary bonds
#53 opened by eahenle - 0
`write_bond_information`
#50 opened by SimonEnsemble