DevLog #3: New Frontend, Plus Small Bits

Phase 22 to now.

P22, distinguishable electrons. Turned off exchange in Hartree-Fock. Electrons still repel, they just stop being identical. Marked COUNTERFACTUAL. Helium came back exactly zero, so it was gone.

P24, Pauli off. Dropped the occupancy cap and everything falls into the 1s. Argon becomes 1s^18 and the periodic table stops existing. P22’s slow convergence was shells, not exchange.

P25, isosurfaces. Never size a box on the grid you draw on. The fraction error bar is blind to the box. A 90% p orbital is one piece, not two lobes.

P26, HF in 3D. Now in Cloud, Plane, Radial and Surface. Whole-atom and one-orbital radii move opposite ways. Fidelity tiers were literals under the solve.

P27, total density. Added D(r), the shape both models describe. A uniform grid steps over the 1s peak, so the test asserts convergence rate, not tolerance.

P28, screened density. GSZ gets its own D(r). A density needs its own box. A log axis quietly breaks area = electron count.

P29, comparison. Both models on one axis, gap measured. Caught a noise floor, a real number printing as zero, and a wrong caption.

Sulfur, chlorine. Split ATOM_KEYS into identity and capability. Derive flags, never pass them. A client check exposed a deep-link race.

P30, instrument frontend. Fonts bundled for offline. –edge is a border colour, never a fill. Dropped four fields with no engine behind them. Uppercase turned 3d into 3D, so headings only now.

Plot polish. Zoomed line profile labels offsets from window centre, since absolute wavelengths printed the same string six times. Drew xyz axes through the cloud.

Absorption, curve of growth. Stopped a zero equivalent width stretching the axis 300 decades. The band drew anti-aliasing seams as absorption lines where transmission was really 0.98 to 1.00. It now bins one column per unit and draws the deepest sample, beside what a real detector pixel would see.