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mlund
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faunus
A Framework for Metropolis Monte Carlo Simulation of Molecular Systems
https://faunus.readthedocs.io
MIT License
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Use optional integer to store exchange partner
#455
mlund
closed
1 month ago
0
Tempering update
#454
IVinterbladh
closed
1 month ago
0
Add polymer background energy term
#453
mlund
opened
2 months ago
0
Partial migration from range-v3 to `std::ranges`
#452
mlund
closed
2 months ago
0
Make atomic displacement parameters optional
#451
mlund
closed
2 months ago
0
Output inter-particle bond info
#450
mlund
closed
2 months ago
0
Apply clang format
#449
mlund
closed
2 months ago
0
Apply clang-format with Stroustrup brace break
#448
mlund
closed
2 months ago
0
Clang tidy fixes
#447
mlund
closed
2 months ago
0
Update list of contributers
#446
mlund
closed
3 months ago
0
Add harmonic potential to constraint
#445
mlund
closed
3 months ago
0
Voronoi analysis using Voronota-LT
#444
mlund
closed
4 months ago
0
changed misspelled mininum to minimum in files
#443
IVinterbladh
closed
7 months ago
0
Write state file for minimum system energy
#442
mlund
closed
8 months ago
0
Tempering update
#441
mlund
closed
1 month ago
0
Save minimum energy configuration from `systemenergy` analysis
#440
mlund
closed
8 months ago
0
Fix Github CI for C++20
#439
mlund
closed
8 months ago
1
added changes to master to tempering_update branch
#438
IVinterbladh
closed
9 months ago
0
Update cmake.yml
#437
mlund
closed
9 months ago
0
Current CI run failures
#436
mbargull
closed
8 months ago
4
Use upstream ruamel.yaml instead of ruamel_yaml
#435
mbargull
closed
10 months ago
2
added Random slump parameter for tempering
#434
IVinterbladh
closed
1 year ago
0
Update .zenodo.json with contributor
#433
IVinterbladh
closed
1 year ago
0
Updated documentation about multipole analysis
#432
IVinterbladh
closed
1 year ago
0
Gibbs ensemble: matter exchange
#431
mlund
closed
1 year ago
0
Gibbs ensemble: volume exchange
#430
mlund
closed
1 year ago
0
SIMD enhanced `std::lower_bound`
#428
mlund
closed
1 year ago
0
Discrete angle integration
#427
mlund
closed
1 year ago
0
Use cmake 3.24
#426
mlund
closed
1 year ago
0
Add VSC dev container config files
#425
mlund
closed
1 year ago
0
Update minimum cmake version stated in manual
#424
SHervoe-Hansen
closed
1 year ago
2
Upgrade nanobench from v3 to v4
#423
mlund
closed
1 year ago
0
Rename namespace and base classes
#422
mlund
closed
1 year ago
0
Custom group to group pair-potential
#421
mlund
closed
1 year ago
0
Table cleanup
#420
mlund
closed
1 year ago
0
Fix speciation moves for parallel tempering
#419
mlund
closed
1 year ago
0
Add minimum distance calculation to GroupMatrix analysis
#418
mlund
closed
2 years ago
0
Ewald summation in metallic slit
#417
mlund
opened
2 years ago
0
Group matrix analysis
#416
mlund
closed
2 years ago
0
Add policy to swap PSC patch information only
#415
mlund
closed
2 years ago
0
Refactor debye length input
#414
mlund
closed
2 years ago
0
Fix failing SASA python test
#413
mlund
closed
2 years ago
0
Failing unittest for SASA hamiltonian
#412
mlund
closed
2 years ago
0
Build using C++20
#411
mlund
closed
2 years ago
0
Speciation refactoring
#410
mlund
closed
2 years ago
0
Displacement analysis
#409
mlund
closed
2 years ago
0
Resurrection of Patchy Sphero-cylinders
#408
mlund
closed
2 years ago
0
Add analysis to save penalty function to disk
#407
mlund
closed
2 years ago
0
Quadratic charge move
#406
mlund
closed
2 years ago
0
Smart Monte Carlo refactoring
#405
mlund
closed
2 years ago
0
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