GitLab

web page: fix bad rst preventing display of list of projects; fix error in release notes

See merge request !2271

Update webpage for 3.21.1

See merge request !2269

Fix CIF bugs for atoms with funny cell/pbc

Closes #438

See merge request !2265

TST: Test Vasp command generator

See merge request !2268

Bring FHI-Aims testing (partially) up to date

See merge request !2261

make vasp read more carefulyl in where it looks for POTCAR, OUTCAR corresponding to POSCAR

See merge request ase/ase!2242

Easier socketio clients from Python

See merge request !2224

Update releasenotes.rst with changes in ForceQMMM calculator.

See merge request !2264

Update vibrations.py

See merge request !2263

when writing CIF and we have less than 3 cell vectors, issue a warning and discard all cell/pbc information.  Add tests for the expected effects of CIF roundtrips with different cell/pbc cases

_write_json doesn't exist, it should be _write_jmol

Get rid of unnecessary test of filename when guessing vasp atom types, and replace assert with more informative exception

BUG: Vasp calculator had old Vasp2 name

See merge request !2262

crank down cost of test; remove the cli calculator test.  If we want cli calculator tests, we should parametrize a single test.

Include more modules in coverage listing

See merge request !2259

Various minor fixes

See merge request !2258

ForceQMMM

See merge request !2144

preconditioned NEB and string methods

See merge request ase/ase!2073

Update version numbers for ase-3.21.0

See merge request !2257