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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
client_subset_communication
03647cd8
·
Switched subsystems to inout in 'gather' functions
·
Dec 09, 2021
!91
refresh_multipoles
3ee93c2c
·
Added function to refresh multipoles (temporary solution)
·
Dec 16, 2021
cfour_hack
586cced7
·
Last updates TSNK
·
May 01, 2022
release/0.1
protected
36ae4371
·
Refactor SR ionic functions
·
Nov 08, 2022
73-short-range-interactions-exceeding-total-number-of-tasks
b69c5596
·
Bump version to 0.2.0 and update copyright headers
·
Nov 08, 2022
client_types
b69c5596
·
Bump version to 0.2.0 and update copyright headers
·
Nov 08, 2022
master
default
protected
b69c5596
·
Bump version to 0.2.0 and update copyright headers
·
Nov 08, 2022
release/0.2
protected
b69c5596
·
Bump version to 0.2.0 and update copyright headers
·
Nov 08, 2022
!99
gpu_hackathon
7721879f
·
fixed nvtx ranges in f&p
·
May 11, 2023
no_overlap_fix
14bce9bb
·
Update mimic_types.f90
·
Jun 01, 2023
!102
Issue-73
1ec2ddfe
·
Fixed line continuation to avoid compiler warnings in mimic_short_range.F90
·
Jul 14, 2023
!101
restore_fragments
287acf1a
·
Cleanup
·
Aug 12, 2023
!92
constraint-solver
81e3d05d
·
Remove restore fragments subroutine
·
Feb 07, 2024