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force_matching
355a9a37
·
Bug fix: OMP reduction of sr potential
·
Jun 03, 2024
patch-0.2.1
8104ce37
·
Update file .gitlab-ci.yml
·
May 22, 2024
cp2k_interface
1a3fb5d9
·
added discretized QM system centering
·
May 18, 2024
Stale branches
parallelization
44bc37db
·
Added initialization of parallelization API
·
Dec 18, 2020
intialization_fix
97fffaaa
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Updated fragment indexing
·
Jun 22, 2021
remove_center_qm
10d275e4
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Moved center_qm subroutine outside of MiMiC
·
Jun 29, 2021
api_refactor
808093de
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Moved mimic_tensors to the embedding module
·
Aug 23, 2021
!90
pbc_fix
ebc1dabf
·
Changed PBC application from fragment-wise to atom-wise in order to fix the...
·
Nov 15, 2021
!41
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