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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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Update mass centers upon speciation moves
#404
mlund
closed
2 years ago
0
Harmonic bond breaking on Serine phosphorylation reaction
#403
directysj
closed
2 years ago
6
Xtc selection refactor
#402
mlund
closed
2 years ago
0
Density refactor
#401
mlund
closed
2 years ago
0
Minor shift towards std::string_view
#400
mlund
closed
2 years ago
0
Add SASA analysis
#399
Smutekj
closed
9 months ago
0
Use MPL library for MPI handling
#398
mlund
closed
2 years ago
0
Sasa celllist
#397
Smutekj
closed
2 years ago
1
Added sasa class and SASAEnergy class
#396
Smutekj
closed
2 years ago
4
fixes bug when relative time was not written to out.json when using n…
#395
Smutekj
closed
2 years ago
0
Parallel temper partner policy
#394
mlund
closed
2 years ago
0
Expand python bindings
#393
mlund
opened
2 years ago
0
Refactor Group class
#392
mlund
closed
2 years ago
0
Rename variables and functions in Space
#391
mlund
closed
2 years ago
0
Cleanup core.h and core.cpp
#390
mlund
closed
3 years ago
0
Unsigned integers for particle/group index in space
#388
mlund
closed
3 years ago
0
Refactor Average class
#387
mlund
closed
3 years ago
0
Use strongly typed enums in Geometry namespace
#386
mlund
closed
3 years ago
0
Add fixed upper limit for pair energy storage
#385
mlund
closed
3 years ago
0
Enable for constant interval moves
#381
mlund
closed
3 years ago
0
CPM CMake dependency handling
#380
mlund
closed
3 years ago
0
Electricpotential analysis
#379
mlund
closed
3 years ago
0
Refactor AAM, GRO, PQR, PDB, XYZ input and output
#376
mlund
closed
3 years ago
0
Xyzfile syntax check
#375
mlund
closed
3 years ago
0
Make group cutoff conform with manual
#370
mlund
closed
3 years ago
0
PCG random number generator
#369
mlund
closed
3 years ago
1
Bonded forces MEGA update
#368
SHervoe-Hansen
closed
3 years ago
5
Add force method to custom pair-potential
#367
mlund
closed
3 years ago
0
Parallel energy accumulator
#366
mlund
closed
3 years ago
0
Add force support for `PeriodicDihedral`
#365
SHervoe-Hansen
closed
3 years ago
3
Add force support for `HarmonicTorsion`
#363
mlund
closed
3 years ago
11
Bonddata refactor
#362
mlund
closed
3 years ago
0
Make faunus.cpp readable
#361
mlund
closed
3 years ago
0
Fix empty error message from Hamiltonian
#360
mlund
closed
3 years ago
0
Stabilise build
#359
mlund
closed
3 years ago
0
Particle energy histogram
#358
mlund
closed
3 years ago
0
Error while building and installing Faunus 2.4.2 or master version
#357
directysj
closed
3 years ago
13
Energy refactor
#356
mlund
closed
3 years ago
0
Error while building from source code of Faunus 2.4.1
#355
directysj
closed
3 years ago
2
Add `copy_policy` to conformation swap move
#354
mlund
closed
3 years ago
0
Analysis cleanup
#353
mlund
closed
3 years ago
0
Lnps
#352
gitesei
closed
3 years ago
0
Add base class for perturbation analysis
#351
mlund
closed
3 years ago
0
Virtualtrans refactor
#350
mlund
closed
3 years ago
0
Fix failing unittests
#349
mlund
closed
3 years ago
0
Refactor penalty energy and reaction coordinates
#348
mlund
closed
3 years ago
0
Refactor from_json for AtomData vector
#347
rc83
closed
3 years ago
0
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
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