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siesta-project
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aiida_siesta_plugin
Source code for the AiiDA-Siesta package (plugin and workflows). See wiki
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Fix some compatibility with aiida-core v1 and python3
#28
mailhexu
closed
5 years ago
1
Subclass from "Restart" abstract Workchain
#27
albgar
closed
4 years ago
3
Provide pre-packaged .ion files as input to a calculation
#26
albgar
opened
5 years ago
3
Handling of Lua scripts
#25
albgar
closed
3 years ago
1
Taxonomy of failure modes
#24
albgar
opened
5 years ago
4
Handling of PSML files
#23
albgar
closed
5 years ago
4
Improving examples, first commit
#22
bosonie
closed
5 years ago
1
Vibra no hardwire
#21
vdikan
closed
5 years ago
0
Fixed Vibra workflow test
#20
vdikan
closed
5 years ago
1
PyPI resubmission minor edit
#19
vdikan
closed
6 years ago
5
Acknowledge MARVEL and MaX
#18
yakutovicha
closed
6 years ago
0
Plugin, workflow and docs
#17
garsua
closed
6 years ago
0
Examples review
#16
bosonie
closed
6 years ago
1
please rename pypi package to aiida-siesta
#15
ltalirz
closed
6 years ago
7
Changes for the vibra plugin and workflow
#14
garsua
closed
6 years ago
1
update data command for aiida 0.11.0
#13
ltalirz
closed
6 years ago
4
Command line PSF commands
#12
vdikan
closed
6 years ago
0
uploadfamily sample script and changes in json
#11
vdikan
closed
7 years ago
0
please relax aiida-core version constraint
#10
ltalirz
closed
6 years ago
1
Refactored calculation.siesta (yapfify)
#9
vdikan
closed
7 years ago
2
Setup tweaks for clean installation
#8
vdikan
closed
7 years ago
0
PyPI integration
#7
vdikan
closed
7 years ago
0
Tests and readme
#6
vdikan
closed
7 years ago
0
Tests and readme
#5
vdikan
closed
7 years ago
0
Fixes for pseudo families + Base workflow init
#4
vdikan
closed
7 years ago
0
New-arch plugin for AiiDA v0.9
#3
vdikan
closed
7 years ago
2
elementary workflow test
#2
vdikan
closed
7 years ago
1
Wrong copy command was replacing essential AiiDA files
#1
giovannipizzi
closed
7 years ago
1
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