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lsmo-epfl
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aiida-zeopp
AiiDA plugin for zeo++
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Release v1.0.0a1
#20
ltalirz
closed
5 years ago
2
Added pore size distribution parser (.psd files)
#19
kjappelbaum
closed
5 years ago
1
Blocked pockets workaround
#18
ltalirz
closed
5 years ago
1
add schema + update README
#17
ltalirz
closed
5 years ago
0
update example
#16
ltalirz
closed
5 years ago
3
Release v0.2.0
#15
ltalirz
closed
5 years ago
0
fix test coverage reports
#14
ltalirz
closed
5 years ago
0
add new command line options
#13
ltalirz
closed
5 years ago
1
chan: fix parser bug
#12
ltalirz
closed
6 years ago
0
workchain: fix output spec
#11
ltalirz
closed
6 years ago
0
workchain works with modified zeo++ output
#10
ltalirz
closed
6 years ago
0
Join outparams
#9
ltalirz
closed
6 years ago
0
add ZeoppBlockPocketsWorkChain
#8
ltalirz
closed
6 years ago
0
add channel parsing
#7
ltalirz
closed
6 years ago
0
Release v0.1.2
#6
ltalirz
closed
6 years ago
0
add ZeoppGeometryWorkChain, which does:
#5
daianedb
closed
6 years ago
2
surface_area_sa density has no units
#4
ltalirz
closed
6 years ago
1
where can one find a complete API description?
#3
ltalirz
closed
6 years ago
1
decide how to use `output_parameters` link
#2
ltalirz
closed
6 years ago
1
zeo++ -sa output inconsistent
#1
ltalirz
closed
6 years ago
1
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