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113-fix-loading-of-charge-nep-models
0a7ba34d
·
Started adapting Model class for charged NEP models
·
Oct 01, 2025
!207
master
default
protected
642fd966
·
Merge branch '122-rename-load_restart-to-read_restart' into 'master'
·
Sep 15, 2025
120-updated-tutorials
3a261821
·
add files for free energy tutorial
·
Aug 28, 2025
!202
analytical-gpumd-derivatives
03b5396d
·
need help from zheyong to continue with the angular components
·
Aug 18, 2025
111-replace-import-imp
9209b935
·
move phonopy imports into get_force_constants to not trigger import error
·
Mar 21, 2025
!177
update-NEP_CPU
25e8ad89
·
Updated NEP_CPU to allow higher l_max
·
Oct 19, 2024
!169
pin-ase-version
271f4f60
·
pin ase version
·
Jun 04, 2024
!158
joss-paper
11b04dd2
·
recompile paper
·
Feb 14, 2024
add-pybind11-to-docker
62c5d658
·
Added pybind11 to Docker image
·
Dec 27, 2023
fix-ase-expfilter-import
844df340
·
Updated import of ExpCellFilter from ase
·
Dec 24, 2023
support-for-rotational-sum-rules
7905e0c2
·
Added hiphive to Docker image
·
Jul 11, 2023
!125
descriptor-gradient
1bb6577a
·
Formatting
·
May 04, 2023
!113
scp-tutorial
d72d60dd
·
move scp tutorial from old MR
·
Mar 31, 2023
!101