root/src/xtalopt/structures/molecularxtal.cpp

Revision Log Mode:


Legend:

Added
Modified
Copied or renamed
Diff Rev Chgset Date Author Log Message
(edit) @06f244abd607a7c31b6ed64e2a2c378638e727d2 [06f244abd607a7c31b6ed64e2a2c378638e727d2] 13 months David C. Lonie <loniedavid@…> Added a preoptimization queue for MolecularXtals?.
(edit) @c74905146224aca2561021b2a62fd76b1a953c5f [c74905146224aca2561021b2a62fd76b1a953c5f] 13 months David C. Lonie <loniedavid@…> Added a lookup table to map optimizer indices to molecule indices.
(add) @765823687709e2ae5f572a5c5ad94322a045998f [765823687709e2ae5f572a5c5ad94322a045998f] 13 months David C. Lonie <loniedavid@…> Initial version of MolecularXtal?, SubMolecule?, and SMSource.
Note: See TracRevisionLog for help on using the revision log.