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aiidateam
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aiida-code-registry
Registry of simulation codes and computers for easy setup in AiiDA.
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[pre-commit.ci] pre-commit autoupdate
#87
pre-commit-ci[bot]
opened
9 months ago
0
update server for aiidalab
#86
mpougin
closed
11 months ago
1
adding qe 7.2 hybrid codes
#85
AndresOrtegaGuerrero
closed
1 year ago
0
update mpiprocs_per_machine for merlin
#84
superstar54
closed
1 year ago
3
Template for AiiDAlab ComputationalResourceWidget
#83
unkcpz
opened
1 year ago
1
SPM codes
#82
cpignedoli
closed
1 year ago
0
[pre-commit.ci] pre-commit autoupdate
#81
pre-commit-ci[bot]
closed
1 year ago
0
✨ NEW: Add AiiDA v2.X support for `eiger`
#80
mbercx
opened
1 year ago
5
Large memory nodes at CSCS
#79
superstar54
opened
1 year ago
0
Add merlin6 at PSI
#78
superstar54
closed
1 year ago
0
Support v2.1 InstalledCode setup
#77
unkcpz
closed
1 year ago
1
Update README.md for URL redirect to register JSON
#76
unkcpz
closed
1 year ago
0
[pre-commit.ci] pre-commit autoupdate
#75
pre-commit-ci[bot]
closed
1 year ago
0
delete cp2k5.1 setup as not supported by fidis anymore
#74
mpougin
closed
1 year ago
0
add cp2k7.1 on fidis as compiled by SCITAS
#73
mpougin
closed
1 year ago
3
remove pre-commit that conflict with precommit.ci
#72
unkcpz
closed
1 year ago
1
[pre-commit.ci] pre-commit autoupdate
#71
pre-commit-ci[bot]
closed
1 year ago
0
fix typo remote path
#70
mpougin
closed
1 year ago
1
add generate-json in pre-commit action
#69
superstar54
closed
1 year ago
4
pre-commit failed in deploy stage by cache exist issue
#68
unkcpz
opened
1 year ago
0
Fix ch315 compile error
#67
unkcpz
closed
1 year ago
3
Update ch315 course setup
#66
mpougin
closed
1 year ago
3
Renew the deploy flow
#65
unkcpz
closed
1 year ago
1
entry point compatible with aiida v2 data type name
#64
unkcpz
closed
1 year ago
4
Template computer/code setup and new code registry configs
#63
unkcpz
opened
2 years ago
3
add code registry tools
#62
ltalirz
opened
2 years ago
0
add code registry tools
#61
ltalirz
closed
2 years ago
9
Ideas for making it easier to distribute computer/code environments
#60
ltalirz
opened
2 years ago
2
Add dos.x and projwfc.x code config to computers
#59
unkcpz
closed
2 years ago
3
add imxgesrv1 in THEOS
#58
unkcpz
closed
2 years ago
3
A list globally control the list to be shown in database
#57
unkcpz
opened
2 years ago
0
modified daint hybrid computers
#56
cpignedoli
closed
2 years ago
0
Update CP2K and QuantumESPRESSO codes
#55
cpignedoli
closed
2 years ago
3
Fix daint proxy configuration
#54
yakutovicha
closed
2 years ago
0
Eiger: use `proxy_command` instead of `proxy_config`
#53
yakutovicha
closed
2 years ago
0
Fix eiger computer.
#52
yakutovicha
closed
2 years ago
0
Add `dos.x` and `projwfc.x` codes for Eiger
#51
mbercx
closed
2 years ago
0
Improve: replace put_your_username with {username} template.
#50
yakutovicha
closed
2 years ago
4
fix location of zeopp and raspa executables
#49
mpougin
closed
2 years ago
0
Update/course account fidis
#48
mpougin
closed
2 years ago
1
Add tigu computer.
#47
yakutovicha
closed
2 years ago
0
Update/course account fidis
#46
mpougin
closed
2 years ago
0
change account information for course registration
#45
mpougin
closed
2 years ago
0
Fix codes/computers configurations on Daint.
#44
mpougin
closed
2 years ago
1
Remove some redundant files introduced in #13
#43
yakutovicha
closed
2 years ago
1
Fix Eiger configuration.
#42
yakutovicha
closed
2 years ago
6
templating mechanism
#41
ltalirz
opened
2 years ago
0
update README
#40
ltalirz
closed
2 years ago
1
Fix: rename cp2k-8.1-hybrid with cp2k-8.1-hybrid.yaml
#39
yakutovicha
closed
2 years ago
0
Reorganise computers/codes setup folders.
#38
yakutovicha
closed
2 years ago
16
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