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ISISNeutronMuon

20 indexed repositories · View on GitHub

MDANSE
MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments

Python · 29 stars
SnowSignal
A UDP Broadcast Relay. Docker Swarm internal networks do not support UDP Broadcasts between nodes in the swarm on the same internal netwo...

Python · 13 stars
SScanSS-2
Strain Scanning Simulation Software 2

Python · 8 stars
recsync-rs
A Rust implementation of RecSync protocol with Python bindings

Rust · 6 stars
poly-lithic
Package that allows you do deploy any model with an arbitrary number of inputs and outputs, related data transformations and system inter...

Python · 4 stars
InstrumentScripts
Instrument GENIE-Python Scripts

Python · 4 stars
MDMC
A pilot version of the second iteration of MDMC to refine against simple datasets (e.g. water)

Python · 4 stars
MDANSE-Examples
MDANSE-Examples

Python · 3 stars
p4pillon
Extensions and additional functionality for the p4p library

Python · 2 stars
spvirit
pvAccess Protocol implementation in Rust

Rust · 2 stars
SANS_Script
The script generator used for LARMOR, SANS2D and LOQ

C# · 1 star
quickBayes
A Python package for Bayesian analysis of data.

Python · 1 star
DetectorDatastreaming
Software for streaming data from detectors and analysing it

Python · 0 stars
HLM_View

Python · 0 stars
HLM_PV_Import

Python · 0 stars
isis-intro

JavaScript · 0 stars
abINS_lib
Dynamical structure factor calculations

Python · 0 stars
isisneutronmuon.github.io
GitHub pages site for public ICD activities

TypeScript · 0 stars
digital-muon-pipeline
Prototype data acquisition pipeline for Super-MuSR

Rust · 0 stars
analytics-data-platform
Prototype data platform for ISIS Neutron & Muon source

Python · 0 stars

Open All

Thoughts/Comments on ISIS explained Index Open

ISISNeutronMuon/isis-intro#1 · 2 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Add time correlation control Open

enhancement needs more info P1

ISISNeutronMuon/MDMC#9 · 2 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Change trajectory format for test_SQw system test Open

P0 refactor

ISISNeutronMuon/MDMC#18 · 1 comment · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Change SQw to accommodate ensembles other than NVE/NVT Open

enhancement P2

ISISNeutronMuon/MDMC#69 · 2 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Change implementation of Parameter tying Open

P1 refactor

ISISNeutronMuon/MDMC#87 · 1 comment · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Extract all Interaction classes from MD.structural_unit Open

P2 refactor

ISISNeutronMuon/MDMC#125 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Exclude water from max number of bonds calculation Open

P1 refactor

ISISNeutronMuon/MDMC#127 · 1 comment · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Deepcopy Molecule results in different interaction order in Atom Open

bug P2

ISISNeutronMuon/MDMC#128 · 1 comment · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Implement Listener pattern for Interaction updates Open

needs more info P1 refactor

ISISNeutronMuon/MDMC#133 · 1 comment · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Add disp.atoms to test_init_dispersion Open

P1 testing

ISISNeutronMuon/MDMC#134 · 1 comment · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Add error checking to LAMMPS kspace solver setting Open

enhancement P1

ISISNeutronMuon/MDMC#145 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Approximate SHAKE and RATTLE in LAMMPSEngine.minimize Open

enhancement P0

ISISNeutronMuon/MDMC#160 · 1 comment · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Add system test for LAMMPS trajectory conversion Open

P1 testing

ISISNeutronMuon/MDMC#162 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Add log.lammps unit tests Open

enhancement P2 testing

ISISNeutronMuon/MDMC#165 · 1 comment · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Extract convert_unit function out of lammps_engine.py into MD engine common module Open

enhancement P1

ISISNeutronMuon/MDMC#166 · 1 comment · 0 reactions · 0 assignees · Indexed Sep 17, 2026
StructuralUnit Universe can be set during initialisation Open

enhancement P1

ISISNeutronMuon/MDMC#169 · 2 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Reorder properties, magic methods, public and private methods in classes Open

good first issue P1 refactor

ISISNeutronMuon/MDMC#202 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Inherit base class docstrings for properties and methods with different implementations Open

documentation enhancement P1

ISISNeutronMuon/MDMC#204 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Make obs automatically determine the file reader from the extension/file format Open

enhancement P2

ISISNeutronMuon/MDMC#206 · 1 comment · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Add in ID setting for StructuralUnit Open

enhancement P2

ISISNeutronMuon/MDMC#207 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Error thrown when trying to set charge to None of an Atom with charge None and Coulombic interaction. Open

bug P1

ISISNeutronMuon/MDMC#213 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Should num_density in Universe.fill() be consistent with density in Universe.solvate() ? Open

P0 question

ISISNeutronMuon/MDMC#221 · 1 comment · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Add delete_structural_unit method to Universe Open

enhancement P1

ISISNeutronMuon/MDMC#229 · 2 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Adding an Atom of atom_type that has already had a Coulombic interaction initialised should add that Atom to the universe's Coulombic interaction. Open

bug P3

ISISNeutronMuon/MDMC#234 · 1 comment · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Should the user be able to pass just total (solute + solvent) density, or solvent density also as a parameter to Universe.solvate() ? Open

enhancement P1

ISISNeutronMuon/MDMC#243 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Change the relationship between fixed and tie attributes of Parameter Open

bug P3

ISISNeutronMuon/MDMC#245 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Automatically determine Minimizer max parameter change Open

enhancement P2

ISISNeutronMuon/MDMC#262 · 2 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Should MDMC use the unrestricted 'hybrid/overlay' pair_style command? Open

LAMMPS Interface P1 question

ISISNeutronMuon/MDMC#285 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Add tests for LAMMPS pair_modify Open

LAMMPS Interface P1 testing

ISISNeutronMuon/MDMC#314 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Document which options can be used by which MD engine Open

documentation P1

ISISNeutronMuon/MDMC#335 · 1 comment · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Sphinx can't generate html for static abstract propert docstring Open

bug documentation P0

ISISNeutronMuon/MDMC#416 · 1 comment · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Wrong GUI visualistion from docker-Jupyter with different multiple monitors Open

bug P1

ISISNeutronMuon/MDMC#422 · 1 comment · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Make building documentation on Windows easier Open

Maintenance P1

ISISNeutronMuon/MDMC#425 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
docstring code examples displayed incorrectly Open

bug documentation P3

ISISNeutronMuon/MDMC#458 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Redirect PyLammps stdout message Open

bug iceboxed LAMMPS Interface

ISISNeutronMuon/MDMC#471 · 2 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Dynamic plots increase in size after refinement completion in some environments Open

bug P2

ISISNeutronMuon/MDMC#472 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Doc page for: Onboarding new member Open

documentation good first issue P1

ISISNeutronMuon/MDMC#485 · 0 comments · 0 reactions · 1 assignee · Indexed Sep 17, 2026
Investigate and comment on huge deviation of pressure in systemtest Open

testing

ISISNeutronMuon/MDMC#490 · 2 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Test threading with MDMC on IDAaaS platform and compared to running on local PC Open

LAMMPS Interface P3 question testing

ISISNeutronMuon/MDMC#506 · 0 comments · 0 reactions · 1 assignee · Indexed Sep 17, 2026
Investigate size of MDMC logs Open

P2 question

ISISNeutronMuon/MDMC#511 · 1 comment · 0 reactions · 1 assignee · Indexed Sep 17, 2026
Use mdanalysis with MDMC in some way? Open

enhancement P1

ISISNeutronMuon/MDMC#560 · 1 comment · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Handling of different temperatures, isotopes, pressure, instruments etc Open

enhancement P1

ISISNeutronMuon/MDMC#595 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Add force field refinement test and nightly CI testing setup Open

good first issue P4 testing

ISISNeutronMuon/MDMC#598 · 1 comment · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Verify / reproduce Argon results from MDMC Fortran version Open

P4 testing

ISISNeutronMuon/MDMC#621 · 9 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
LAMMPS with MDMC on GPU Open

enhancement P2

ISISNeutronMuon/MDMC#629 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Simulate / reproduce details of the A. A. van Well Argon dataset Open

P4 testing

ISISNeutronMuon/MDMC#636 · 4 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Remove relative links to some or all images in Jupyter tutorials Open

documentation P1

ISISNeutronMuon/MDMC#654 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026
create ansible playbook for configuring dev environments Open

enhancement P3

ISISNeutronMuon/MDMC#659 · 0 comments · 0 reactions · 1 assignee · Indexed Sep 17, 2026
Add direnv support Open

enhancement P0

ISISNeutronMuon/MDMC#713 · 1 comment · 0 reactions · 0 assignees · Indexed Sep 17, 2026
Developer documentation for how to test for memory bugs Open

documentation P2

ISISNeutronMuon/MDMC#716 · 0 comments · 0 reactions · 0 assignees · Indexed Sep 17, 2026

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