Sync BMD Compute pages with Compute v1.0.0 methodology - Advanced Options: replace "SOC under validation" with the v1 automatic SOC behaviour; note automatic spin and DFT-D3(BJ) triggers; drop stale SOC parenthetical in DFT+U. - Workflows: state v1 stage chaining, k-point sampling, preview vs run-time differences and the one-allocation/no-continuation model; remove the "Not yet specified" list. - Using BMD Compute: clarify that Resume does not continue a job. Source: bmd_compute v1.0.0 (a746155) docs/methodology.md sections 1-4, 6-8. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01DHgs1a4r3pZ6JVJ5dXQvoR
docs: finalize access and resources wording on Using BMD Compute - Step 0: replace the maintainer placeholder with the student-facing address (TAU network/VPN, http://132.66.66.90:8000/, no personal login) and simplify the shared-infrastructure note. - Step 3: describe Execution Resources as the requested computational resources that new users can normally leave unchanged unless a maintainer or project workflow specifies otherwise. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01DHgs1a4r3pZ6JVJ5dXQvoR
docs: add beginner-facing Using BMD Compute page First-use walk-through of the current BMD Compute interface (bmd_compute c241a64): structure input, Structure Summary and Method Considerations, Desired Output, preview of generated inputs, Prepare Remote vs Submit Calculation, Monitoring states, Resume by Job ID, Load Results, when to use BMD Agent, and where to go next. No Linux, SSH, SLURM or Python prerequisites. Access address/onboarding marked as needing maintainer information. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01DHgs1a4r3pZ6JVJ5dXQvoR