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fix-lammpsrun
f2819325
·
Merge branch 'master' into fix-lammpsrun
·
Jul 09, 2023
master
default
protected
f2819325
·
Merge branch 'master' into fix-lammpsrun
·
Jul 09, 2023
ase/ase!2911
optimizable
419f0a4f
·
rename the self.atoms attribute to self._actual_atoms in those cases where we...
·
May 25, 2023
kursus-10031
bd4611d4
·
Merge branch 'master' into kursus-10031
·
May 04, 2023
configfile-revised
b7fcf91e
·
Merge branch 'master' into configfile-revised
·
Apr 27, 2023
faster-get-all-key-names
489927f2
·
Postgres fix: Use a cursor
·
Apr 24, 2023
espresso-make-pseudopotential-lookup-more-safe
f5dfd93b
·
more robust handling of path/string in Espresso io
·
Apr 04, 2023
castep-genericfileio
65f71808
·
Castep GenericFileIO: sort forces to original Atoms order
·
Mar 25, 2023
calculator_refactor/octopus
a1e81adc
·
Put class methods under test
·
Mar 23, 2023
more-test-magic
1b1235f3
·
Add noqa line.
·
Mar 20, 2023
db_reduced_formula
0dd28e79
·
add reduced formula to db row objects
·
Nov 16, 2022
block-db-insert
4f8d5199
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Merge branch 'master' into block-db-insert
·
Nov 07, 2022
fix-mclc-recognition
68232091
·
update comment and fix flakes
·
Oct 26, 2022
mysql_port
5683b198
·
satisfy linter
·
Oct 25, 2022
lammpsrun-simplify
34b666f2
·
remove debugging code and fix flakes
·
Oct 01, 2022
issues-1139
20af37e7
·
increase force tolerances
·
Sep 30, 2022
tgmaxson-master-patch-09078
09a9112c
·
self.atoms can be accessed but not part of __init__ which can cause exceptions
·
Sep 19, 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
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