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Alexander Tygesen
ase
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set_atoms_in_calc
3addf6aa
·
Add set_atoms to calculator object
·
Dec 21, 2020
update_setup
3830ed83
·
update setup.py file to py 3.6+
·
Jan 20, 2021
basecalc_reset
859f82be
·
Some calculators may wish to adjust reset() behaviour
·
Feb 15, 2022
ase/ase!2642
master
default
2676dde0
·
Merge branch 'vasp_outcar_kpts' into 'master'
·
Mar 07, 2022
vasp_param_state
c7dd5670
·
BUG: special keys not stored in vasp calculator state
·
Mar 21, 2022
ase/ase!2661