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deprecate-fleur-calculator
bb75a2fc
·
Move the deprecation warning inside the Calculator
·
Jul 14, 2022
defect-setup-utils
96784bcc
·
added new supercell setup logic
·
Jul 04, 2022
wannier-decouple-calc
5280301b
·
WIP: partial changes and sketch of how we would decouple Wannier class from...
·
Jun 30, 2022
doscollection-hint-fix
78a7b980
·
Fix DOSCollection.__add__ type hint
·
Jun 24, 2022
remove-unused-serial-keyword
2c1faf4e
·
there is a keyword called serial which is used nowhere. It is also undocumented. Remove it.
·
Jun 07, 2022
gpaw-yml-debug
a69ee7cf
·
debugging
·
May 12, 2022
add-intercalated
562b4a9c
·
Added metastability + edge detection
·
Apr 12, 2022
orca-factory-dev
54c5d8a2
·
flakes
·
Mar 20, 2022
waveman68-master-patch-25652
4836e281
·
Added support for output block in octopus code version 11+
·
Feb 14, 2022
debug-docs
0e00786b
·
Debug nightly build of docs
·
Jan 24, 2022
db-no-calculator-params
7fd09a60
·
avoid testing calculator parameters which were removed
·
Jan 10, 2022
no-write-parameters
f858e41e
·
mention in release notes that we no longer save parameters in trajectories
·
Jan 10, 2022
espresso_io_refactor_Mina
4a869a0f
·
adding koffset
·
Dec 22, 2021
socket-port0-test
c2d06ece
·
claim more ports
·
Dec 08, 2021
1011-basecalculator-name-does-not-exist
0fea2a49
·
Merge branch 'bugfix-3.22.1' into 'master'
·
Dec 01, 2021
dftb-GenericFileIOCalculator
34de8853
·
DEV: (re-)enabled reading slako-dir location from environment variable (if not passed explicitly).
·
Nov 19, 2021
vasp_dev
db9ed763
·
Check if results from py4vasp are read and correct
·
Nov 18, 2021
calculator_refactor/exciting
e72eafc0
·
First commit: Replace parameterize import with pytest's decorator
·
Nov 17, 2021
1002-make-a-badge-on-gitlab-pointing-to-the-bar
cf1d87f6
·
Merge branch 'issue-868' into 'master'
·
Nov 17, 2021
fix-calculator-list
c34f5fef
·
Put list of calculators in table
·
Sep 14, 2021
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