Repository navigation
Builder: open with the periodic (lattice) tools active for periodic codes (Quantum ESPRESSO, CP2K) #300
Description
A calculation for a periodic code (Quantum ESPRESSO now, CP2K later) should open the Builder with the periodic/lattice tools active (cell, lattice vectors, periodic display), not the molecule tools. Proposal: a per-code flag in the code registration (EDML) that the Builder reads when it opens a calculation of that code. Suggested by the maintainer, 2026-10-12.
Activity
ohlincha commentedon Oct 13, 2026
On main for 9.1.0 (324fcb6): a code descriptor can declare itself periodic (Quantum ESPRESSO does). Opening such a calculation in the Builder shows the Periodic Builder pane; a structure without a cell gets Create Lattice, not an invented cell. A molecular calculation opened afterwards hides the pane again unless the user opened it.
Builder opens a periodic code's calculation with the Periodic Builder…
ohlincha commentedon Oct 14, 2026
In 9.1.0: a Quantum ESPRESSO calculation opens the Builder with the Periodic Builder pane; a structure without a cell is offered Create Lattice.