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Overview
Active
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master
default
protected
2bab58f4
·
Merge branch 'espresso_details' into 'master'
·
Dec 05, 2023
data
a259b91e
·
Update s22.py
·
Oct 24, 2023
collections
3f1a7863
·
refactor `collections`
·
Oct 23, 2023
cluster
6a637d5b
·
refactor `cluster`
·
Oct 23, 2023
cli
f4494472
·
refactor `cli`
·
Oct 23, 2023
build_refactor
c8ccbe33
·
refactor `build`
·
Oct 23, 2023
atoms_documentation_calc_fixes
8d8ae415
·
Fix typo atoms --> qm_mol
·
Oct 23, 2023
create-subpanels
b7de29bf
·
adding id to style sheet for subpanels in webpanels
·
Oct 16, 2023
tomdemeyere-onetep
134b11f8
·
docstring formatting
·
Oct 04, 2023
optimizable
44e854da
·
Merge branch 'master' into optimizable
·
Aug 22, 2023
pourbaix
e5fe7a7c
·
removed surface pourbaix (will not be implemented here
·
Aug 22, 2023
windows-check
e78801a7
·
uncomment "schedule" rule
·
Jul 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
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
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