Copilot
Copilot
Adds a new SchNetPack format plugin that creates ASE databases optimized for SchNetPack machine learning workflows with enhanced compatibility features. ## Key Features - **Multiple Compatibility Layers**: Property units stored...
The `amber/md` format previously only supported orthogonal unit cells (90° angles), raising a `RuntimeError("Unsupported cells")` for any simulation with non-orthogonal cells. This limitation prevented users from processing AMBER trajectories with...
This PR addresses an issue where VASP machine learning AIMD simulations were not extracting the expected number of structures from OUTCAR files when using dpdata. The problem was caused by...
This PR resolves the long-standing limitation where dpdata would raise `RuntimeError("ibrav > 1 not supported yet.")` when parsing Quantum Espresso SCF files with Bravais lattice types other than simple cubic...
The `dpdata.MultiSystems.from_file()` method with `fmt="deepmd/npy/mixed"` was failing when attempting to load data that was dumped from systems without labels (i.e., regular `System` objects instead of `LabeledSystem` objects). The error occurred...
This PR implements efficient trajectory frame reading for LAMMPS dump files, allowing users to read only specific frames instead of loading entire trajectories. This addresses the performance issue where workflows...
The WiFi power management constants (`PM_NONE`, `PM_PERFORMANCE`, `PM_POWERSAVE`) in `network.WLAN` were undocumented in reference stubs, and their platform-specific numeric values were not clarified. ## Changes - **Enhanced `reference/micropython/network/WLAN.pyi`**: - Added...
## Overview Implements a comprehensive tool to compare MicroPython APIs (modules, classes, methods, parameters) across different boards and versions. Addresses the need for developers to understand what functionality is available...
## Overview This PR completes the migration of board comparison and search features from the JavaScript version (`board-explorer.js`) to the PyScript version (`board-explorer-mpy.html`), achieving **100% feature parity** between the two...
This PR updates the `rp2.asm_pio()` function signature in the reference stubs to include the new `side_pindir` parameter introduced in [micropython/micropython#16506](https://github.com/micropython/micropython/pull/16506). ## Changes Added the `side_pindir: bool = False` parameter to...