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issp-center-dev
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abICS
ab-Initio Configuration Sampling tool kit (abICS)
https://www.pasums.issp.u-tokyo.ac.jp/abics/en
GNU General Public License v3.0
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update perturb algorithm
#24
yomichi
closed
4 years ago
0
multistep
#23
yomichi
closed
4 years ago
6
Tools doc
#22
skasamatsu
closed
4 years ago
1
Added sanity check for num MPI procs
#21
skasamatsu
closed
4 years ago
0
Use scipy constants for Boltzmann constant
#20
skasamatsu
closed
4 years ago
0
Separate T tool for RXMC
#19
skasamatsu
closed
4 years ago
2
GitHub actions for CI
#18
yomichi
closed
4 years ago
0
Structure2abics
#17
skasamatsu
closed
4 years ago
3
parallel_level for QE
#16
yomichi
closed
4 years ago
0
perturb only unfixed components
#15
yomichi
closed
4 years ago
3
save only when sampling
#14
skasamatsu
closed
4 years ago
0
Don't recalculate when reloading
#13
skasamatsu
closed
4 years ago
0
allowing for vacancy specification
#12
skasamatsu
closed
4 years ago
1
Fix subprocess
#11
skasamatsu
closed
4 years ago
4
Release
#10
k-yoshimi
closed
4 years ago
0
relaxation and magnetization
#9
yomichi
closed
4 years ago
0
save information right after each step
#8
yomichi
closed
4 years ago
0
Docstring
#7
k-yoshimi
closed
4 years ago
0
Docs new
#6
k-yoshimi
closed
4 years ago
0
replace docs by docs in gh-pages
#5
k-yoshimi
closed
4 years ago
0
implement to use site_properties seldyn in qe
#4
k-yoshimi
closed
4 years ago
0
added aenet to main.py
#3
k-yoshimi
closed
4 years ago
0
QE test
#2
yomichi
closed
4 years ago
0
LAMMPS interface
#1
skasamatsu
opened
4 years ago
0
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