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davidkleiven
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CEMC
DEPRECATED: Monte Carlo package targeted at systems studied with the Cluster Expansion.
MIT License
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ase.clease
#99
qingyang0315
opened
3 years ago
1
Create function to calculate all correlation functions from scratch
#98
davidkleiven
opened
5 years ago
0
Auto tune hyperthreading
#97
davidkleiven
closed
5 years ago
0
Remove runner.py and use normal test discovery
#96
davidkleiven
opened
5 years ago
0
Add test to verify that there are no self interactions. Closes #73
#95
davidkleiven
closed
5 years ago
0
Explore possibility for auto tuning hyperthreading for CF updates
#94
davidkleiven
closed
5 years ago
1
Don't run new CI test when PR is opened
#93
davidkleiven
closed
5 years ago
1
Remove mpi
#92
davidkleiven
closed
5 years ago
0
Precision
#91
davidkleiven
closed
5 years ago
0
Remove all traces of phase field calculations
#90
davidkleiven
opened
5 years ago
0
Init calculator
#89
davidkleiven
closed
5 years ago
0
Initialize calculator from JSON file
#88
davidkleiven
closed
5 years ago
0
Fix singlets
#87
davidkleiven
closed
5 years ago
0
Check loss of precision for large systems
#86
davidkleiven
closed
5 years ago
0
Remove internal MPI usage
#85
davidkleiven
closed
5 years ago
0
Make tests run on Travis CI with private dependency
#84
davidkleiven
opened
5 years ago
0
Closes #76
#83
davidkleiven
closed
5 years ago
0
Binary phase diagram
#82
davidkleiven
closed
5 years ago
0
SGCMC assumes that singlet are present
#81
davidkleiven
closed
5 years ago
0
typo corrections
#80
jinchang
closed
5 years ago
2
Landau kr
#79
davidkleiven
closed
5 years ago
0
Sometimes transition path unitests gets stuck
#78
davidkleiven
opened
5 years ago
0
Optional to run slow test
#77
davidkleiven
opened
5 years ago
0
SiteOrderParameter does not save to DB
#76
davidkleiven
closed
5 years ago
0
SQL alchemy fails in tests on IDUN
#75
davidkleiven
opened
5 years ago
0
Fourier observer
#74
davidkleiven
closed
5 years ago
0
Check that there are no self interactions
#73
davidkleiven
closed
5 years ago
0
Phase diag
#72
davidkleiven
closed
5 years ago
0
Relaxation moves during reaction path sampling
#71
davidkleiven
opened
5 years ago
0
Fix pseudo binary
#70
davidkleiven
closed
5 years ago
0
Add function to transfer one database to the other
#69
davidkleiven
closed
5 years ago
0
Landau polynomial
#68
davidkleiven
closed
5 years ago
0
bug fix in nucl_free_energy test
#67
jinchang
closed
5 years ago
0
Transfer floating point classifier
#66
davidkleiven
closed
5 years ago
1
The database has to be prepared prior to calling get_ce_calc
#65
phymalidoust
opened
5 years ago
15
Explore func khach
#64
davidkleiven
closed
5 years ago
0
Khachaturyan
#63
davidkleiven
closed
5 years ago
0
Optimize cpp
#62
davidkleiven
closed
5 years ago
0
Strain energy bias potential
#61
davidkleiven
closed
5 years ago
0
Develop
#60
davidkleiven
closed
5 years ago
0
Solute chain mc
#59
davidkleiven
closed
5 years ago
0
Strain energy
#58
davidkleiven
closed
5 years ago
0
Gaussian classifier
#57
davidkleiven
closed
5 years ago
0
Outlier
#56
davidkleiven
closed
5 years ago
0
Fix bias update
#55
davidkleiven
closed
5 years ago
0
Adaptive bias
#54
davidkleiven
closed
5 years ago
0
Adaptive bias
#53
davidkleiven
closed
5 years ago
0
Check bias potential
#52
davidkleiven
closed
5 years ago
0
parallel computing error
#51
phymalidoust
closed
5 years ago
7
Ignore background atoms
#50
davidkleiven
closed
5 years ago
0
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