davidkleiven CEMC issues

davidkleiven / CEMC

DEPRECATED: Monte Carlo package targeted at systems studied with the Cluster Expansion.

MIT License

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issues

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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