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gpaw-yml-debug
a69ee7cf
·
debugging
·
May 12, 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
doscollection-hint-fix
78a7b980
·
Fix DOSCollection.__add__ type hint
·
Jun 24, 2022
wannier-decouple-calc
5280301b
·
WIP: partial changes and sketch of how we would decouple Wannier class from...
·
Jun 30, 2022
defect-setup-utils
96784bcc
·
added new supercell setup logic
·
Jul 04, 2022
deprecate-fleur-calculator
bb75a2fc
·
Move the deprecation warning inside the Calculator
·
Jul 14, 2022
waveman68-master-patch-32525
dd23c25c
·
Changed to comment marks to avoid absolute line numbers per AHL suggestion
·
Aug 15, 2022
gaussian-tests
22c20d88
·
ASE/Fireworks Workshop 2021 first commit
·
Aug 30, 2022
ase-climb-fix-internals
119d1658
·
flake fixes
·
Sep 10, 2022
tgmaxson-master-patch-09078
09a9112c
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self.atoms can be accessed but not part of __init__ which can cause exceptions
·
Sep 19, 2022
issues-1139
20af37e7
·
increase force tolerances
·
Sep 30, 2022
mysql_port
5683b198
·
satisfy linter
·
Oct 25, 2022
fix-mclc-recognition
68232091
·
update comment and fix flakes
·
Oct 26, 2022
block-db-insert
4f8d5199
·
Merge branch 'master' into block-db-insert
·
Nov 07, 2022
db_reduced_formula
0dd28e79
·
add reduced formula to db row objects
·
Nov 16, 2022
more-test-magic
1b1235f3
·
Add noqa line.
·
Mar 20, 2023
calculator_refactor/octopus
a1e81adc
·
Put class methods under test
·
Mar 23, 2023
castep-genericfileio
65f71808
·
Castep GenericFileIO: sort forces to original Atoms order
·
Mar 25, 2023
espresso-make-pseudopotential-lookup-more-safe
f5dfd93b
·
more robust handling of path/string in Espresso io
·
Apr 04, 2023
faster-get-all-key-names
489927f2
·
Postgres fix: Use a cursor
·
Apr 24, 2023
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