Skip to content
GitLab
Menu
Why GitLab
Pricing
Contact Sales
Explore
Why GitLab
Pricing
Contact Sales
Explore
Sign in
Get free trial
You need to sign in or sign up before continuing.
Overview
Active
Stale
All
master
default
protected
04ce4a53
·
Merge branch 'phonons-barrier' into 'master'
·
May 31, 2023
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
·
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
deprecate-fleur-calculator
bb75a2fc
·
Move the deprecation warning inside the Calculator
·
Jul 14, 2022
Prev
1
2
3
4
5
…
10
Next