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MiMiC Project
MiMiC
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patch-0.2.1
7bbf8b04
·
Update 2 files
·
Apr 27, 2024
force_matching
b9cbfbd1
·
bug fixed in sr_potential contribution from electrons
·
Apr 25, 2024
cp2k_interface
b5ffec3b
·
small changes
·
Apr 24, 2024
mimic_polmd
d989f825
·
Modify multipole values to be dynamically allocated
·
Apr 04, 2024
Stale branches
parallelization
44bc37db
·
Added initialization of parallelization API
·
Dec 18, 2020
intialization_fix
97fffaaa
·
Updated fragment indexing
·
Jun 22, 2021
remove_center_qm
10d275e4
·
Moved center_qm subroutine outside of MiMiC
·
Jun 29, 2021
api_refactor
808093de
·
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