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devel
default
protected
6b7f0694
·
asmatrix
·
Jun 20, 2024
luigigenovese/bigdft-suite!8
genesis
437fce84
·
fixes
·
May 28, 2024
!342
tb
ddd5ae12
·
Correct TB tutorial
·
Feb 05, 2024
!333
dry_run_var
f55825cb
·
Fix dry run access to environment variable
·
Feb 05, 2024
!335
opt_pdos
8248bc2c
·
further optimization
·
Jan 27, 2024
!331
pybigdft_release
cb66dd0c
·
Bump PyBigDFT release and fix a build issue
·
Dec 22, 2023
!329
fugaku_compile
5cf529ce
·
Fix Fugaku compilation
·
Oct 30, 2023
!323
init_seg
3fbc208a
·
remove accidently new line
·
Oct 30, 2023
!322
spin_matrix
726ffd09
·
Cleanup the approach
·
Oct 24, 2023
!321
nwchem_unrestricted
b4ae83cb
·
Handle the unrestricted TDDFT case for NWChem
·
Oct 20, 2023
!320
work/geopt
86abe433
·
[PyBigDFT] Fix issue parsing geopt log files.
·
Oct 13, 2023
!318
plt_axs
461539a1
·
Fix a bug in plotting fermi level of DoS
·
Sep 26, 2023
!317
convergence_helpers
227388d1
·
Switch to a warning
·
Sep 13, 2023
!313
1.9.4
7a01d4de
·
Merge branch 'devel' into 'devel'
·
Sep 01, 2023
53-bug-from-deallocating-irecvbuf_c-of-collcom_sr
da59e666
·
Merge branch 'cells' into 'devel'
·
Aug 03, 2023
work/localHam
153f4f6f
·
[bigdft] Use FullHamiltonianApplication in get_kernel.
·
Jul 21, 2023
!284
work/tel
fbcd44ad
·
[bigdft] Recompute occupancy according to temperature on restart.
·
Jul 13, 2023
work/hgrids
6fb8e701
·
Remove hgrids from API when creating llr.
·
Jun 08, 2023
!298
precond_issue
a08c2381
·
added SiBulk test
·
Apr 24, 2023
work/H2-spin
ba9f74b6
·
[ci] Add H2-spin test.
·
Mar 20, 2023
!278
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