This code implements a grand-canonical eigenvalue solver, used to compute forces within a linear-scaling SCF theory (https://aip.scitation.org/doi/10.1063/1.4869865).
DCM-UPB/lspp
Folders and files
| Name | Name | Last commit date | ||
|---|---|---|---|---|
| Name | Name | Last commit date | ||
|---|---|---|---|---|
This code implements a grand-canonical eigenvalue solver, used to compute forces within a linear-scaling SCF theory (https://aip.scitation.org/doi/10.1063/1.4869865).