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fix-mclc-recognition
68232091
·
update comment and fix flakes
·
Oct 26, 2022
mysql_port
5683b198
·
satisfy linter
·
Oct 25, 2022
issues-1139
20af37e7
·
increase force tolerances
·
Sep 30, 2022
ase-climb-fix-internals
119d1658
·
flake fixes
·
Sep 10, 2022
gaussian-tests
22c20d88
·
ASE/Fireworks Workshop 2021 first commit
·
Aug 30, 2022
waveman68-master-patch-32525
dd23c25c
·
Changed to comment marks to avoid absolute line numbers per AHL suggestion
·
Aug 15, 2022
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
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