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qsgw
7711e07f
·
Working on MPI support in QSGW
·
Nov 26, 2021
develop
default
protected
0253eee4
·
Adjust locations of AiiDA-Fleur calculation test data in workflow
·
Nov 19, 2021
noco-soc
0b723e0e
·
Rmove Spin polarization in INT region for initial charge density in NOCO case
·
Nov 17, 2021
ldau_multipole_expansion
f322c471
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Bugfix in FLeurOutputSchema.xsd
·
Nov 10, 2021
chase-gpu
2be4c267
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add GPU support for ChASE
·
Oct 25, 2021
openacc
c219961e
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Merge branch 'openacc' of
https://iffgit.fz-juelich.de/fleur/fleur
into openacc
·
Sep 10, 2021
644-matrixuhu-in-wannier-is-taking-very-long-time
44315c7e
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clean up of unfolding routine and adding previous fix to the section without overlap matrix
·
Aug 12, 2021
new_inpgen_tests
2b817632
·
First layout of new inpgen tests and to generate input files
·
Jul 28, 2021
wannier_testbranch
d397a8b9
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try again
·
Jun 27, 2021
test_system_improvements
cb20a0ca
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Merge remote-tracking branch 'origin/develop' into test_system_improvements
·
Jun 18, 2021
revert-ab41500e
722c5129
·
Revert "Update .gitlab-ci.yml"
·
Jun 15, 2021
new_python_test_system
2aee4bdb
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pre-collapse test dependency installation and fix some absolute paths in .gitlab-ci.yml
·
Jun 10, 2021
ldau_mixing
d103f885
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WIP: Change LDA+U mixing scheme. The density treated by LDA+U is removed...
·
Jun 08, 2021
hackathon
14f22917
·
hackathon commits
·
Apr 28, 2021
release
cd10be10
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Merge branch 'develop' into 'release'
·
Apr 10, 2021
hybrid
016aa09e
·
put OMP on atoms
·
Mar 29, 2021
fft-refactor
56b81ac2
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FFT to be useable from wavefproducts, cufft inplace
·
Feb 08, 2021
test-CI
6f26d242
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Update .gitlab-ci.yml
·
Aug 28, 2020
reduce-scratch-allocations
61299dc2
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ylm4: compute sin(phi)/cos(phi) recursion without scratch allocation
·
Apr 29, 2020
test-without-hdf5
f5a14639
·
do not call logging or raise SystemExit from within the python shutdown path
·
Apr 20, 2020
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