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Adds a property string to ase_to_tensormap - #55

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bananenpampe wants to merge 6 commits into

lab-cosmo:mainfrom

bananenpampe:main

Commits on Jul 17, 2023

adds a property string to ase_to_tensormap
bananenpampe
committed
180372d
add whitespace
bananenpampe
committed
5f957fd
line too long
bananenpampe
committed
75442be

Commits on Jul 19, 2023

changeing stress to info dict
bananenpampe
committed
7b46ac8

Commits on Jul 22, 2023

Adds the possibility to get energies and forces
bananenpampe
committed
a31ed02

Commits on Jul 24, 2023

Update src/equisolve/utils/convert.py

bananenpampe
and
agoscinski
authored
08c47db