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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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Add a generic cell list implementation
#346
rc83
closed
3 years ago
0
Simplify JSON processing in from_json
#345
rc83
closed
3 years ago
2
Refactor Nonbonded energy with EnergyAccumulator
#344
rc83
closed
3 years ago
0
Refactor ConfigurationSwap move
#343
mlund
closed
3 years ago
0
TranslateRotate refactoring
#342
mlund
closed
3 years ago
0
Use Conan for dependency handling
#341
mlund
closed
3 years ago
1
Refactor density analysis for better readability
#340
mlund
closed
3 years ago
0
Fix issues with a few recent commits
#339
mlund
closed
3 years ago
1
Celllist preparation
#338
rc83
closed
3 years ago
0
Add support for Trompeloeil mocking framework
#337
rc83
closed
3 years ago
0
Add shape anisotropy analysis to cluster move
#336
mlund
closed
3 years ago
1
Binary search for bond search in Bonded energy
#335
mlund
closed
4 years ago
0
Dipole masscenter
#334
mlund
closed
4 years ago
0
Parallel Temper fix and example
#333
mlund
closed
4 years ago
0
Switch xdrfile library fork
#332
rc83
closed
4 years ago
0
Trajectory replay move
#331
rc83
closed
4 years ago
0
Fix VirtualVolumeAnalysis (Space is a reference)
#330
rc83
closed
4 years ago
0
Fix AAM file reader (atoms begin at line 2)
#329
rc83
closed
4 years ago
0
Hexagonal to cuboid functionality
#328
mlund
closed
4 years ago
0
Allow cuboids in scattering analysis
#327
mlund
closed
4 years ago
1
Conformation id histogram analysis
#326
rc83
closed
4 years ago
0
Enable Intel Threading Building Blocks
#325
mlund
closed
4 years ago
0
Respect active particles in Langevin Dynamics
#324
mlund
closed
4 years ago
0
Update polymer shape
#323
mlund
closed
4 years ago
0
Move unittests to cpp files
#322
mlund
closed
4 years ago
0
Forcemove masscenter sync
#321
mlund
closed
4 years ago
0
Cleanup multipole and sample active groups only
#320
mlund
closed
4 years ago
0
Separate cmake directory
#319
mlund
closed
4 years ago
0
Use double in units user defined literals
#318
mlund
closed
4 years ago
0
Enable integer selection for inactive molecules
#317
mlund
closed
4 years ago
0
Clarify keyword `inactive` in manual
#316
MarcoPolimeni
closed
4 years ago
0
Refactor structure loading policy
#315
mlund
closed
4 years ago
0
Split auxiliary.h
#314
mlund
closed
4 years ago
0
Yukawa shift
#313
mlund
closed
4 years ago
0
Fix (un)shifted yukawa
#312
mlund
closed
4 years ago
0
Clean io.h
#311
mlund
closed
4 years ago
2
Refactor widom analysis
#310
mlund
closed
4 years ago
0
Introduced overwrite option to savestate
#309
SHervoe-Hansen
closed
4 years ago
1
Allow gzip for qrtraj and minor refactoring
#308
mlund
closed
4 years ago
0
Update crankshaft in schema.yml
#307
SHervoe-Hansen
closed
4 years ago
1
yason.py converting to string instead of number for variable substitution
#306
udayardahal
closed
4 years ago
6
Error running example langevin_lj.yml
#305
udayardahal
closed
3 years ago
19
Refactor MonteCarloSimulation class
#304
mlund
closed
4 years ago
0
Legendre
#303
mlund
closed
4 years ago
0
Nonbonded splined refactor
#302
mlund
closed
4 years ago
0
Splining of Yukawa fails
#301
mlund
closed
4 years ago
1
Fix speciation check for full or empty groups
#300
mlund
closed
4 years ago
2
Refactor random.h
#299
mlund
closed
4 years ago
0
Add LangevinDynamics move
#298
rc83
closed
4 years ago
2
Upgrade external libraries
#297
mlund
closed
4 years ago
0
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