Closes: #16 Add the ability to control the simulation from JS#24
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Closes: #16 Add the ability to control the simulation from JS#24
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alexjilkin
changed the title
andeplane
reviewed
Feb 19, 2026
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| const bool ok = LAMMPSWebAsync::invokeStepCallbackAndWait( | ||
| static_cast<std::int32_t>(update->ntimestep) |
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Maybe we should cast this as 64 bit int?
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Or maybe we don't have 64 bit ints in the compiled version, hmm...unlikely to be a problem regardless.
| } | ||
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| void FixJsAsync::min_post_force(int) { | ||
| ++step_count; |
Collaborator
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Should this be reset after a successful minimization?
| namespace LAMMPSWebAsync { | ||
| namespace { | ||
| emscripten::val g_step_callback = emscripten::val::undefined(); | ||
| emscripten::val g_promise_waiter = emscripten::val::undefined(); |
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These are global so it means we can only have one LAMMPS instance at the same time (afaik)? Anything we could do here instead?
| (err) => { | ||
| module.HEAP32[errPtr >> 2] = 1; | ||
| module.HEAP32[donePtr >> 2] = 1; | ||
| module.__lammpsAsyncError = err; |
| } | ||
| nevery = utils::inumeric(FLERR, arg[3], false, lmp); | ||
| if (nevery <= 0) { | ||
| error->all(FLERR, 3, "Illegal fix js/async nevery value {}; must be > 0", nevery); |
andeplane
approved these changes
Feb 19, 2026
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Related Issue
Similarly to Atomify, I added fix js/async to hook LAMMPS end-of-step and minimization (MIN_POST_FORCE) and call back into JS via Asyncify, blocking the simulation until the Promise resolves. Still no LAMMPS
core patching, but now we also expose selected compute scalar values in callbacks (in addition to particles/bonds/box snapshots).
runScriptWithAsyncCallback now supports both run and minimize flows, injects fix js/async automatically when needed, and keeps managed fix state so frequency updates can be reused safely across runs. It also handles sync throw cleanup correctly (callback is always cleared).
Callback payload still returns simulation snapshots by default (particles/bonds/box), and now optionally includes computeScalars for requested compute IDs.
ThreeJS example
Tests / stability
Dist packaging