CompAS

CompAS is to a large extent a collaboration focused on the development of codes used to calculate atomic structure and radiative/collisional processes. Most of these have been made available in open-source format via the repositories below listed below. The original sources are available through the associated Computer Physics Communications publications.

Summary of developed and maintained codes.

Code	Repository	Method	Ref.
ATSP	compas/atsp	MCHF+CI	[1]
ATSP-book	compas/atsp-book	MCHF+CI	[7, 8]
GRASP	compas/grasp	MCDHF+RCI	[2]
SPHF	compas/sphf	B-sp HF	[3]
SPMCHF	compas/spmchf	B-sp MCHF	unpubl.
DBSR_HF	compas/dbsr_hf	B-sp DF	[4]
BSR	zatsaroi/BSR3	B-sp R-mat	[6]
DBSR	zatsaroi/DBSR3	DB-sp R-mat	unpubl.
RATIP		Various	[5]

Explanation of abbreviations - MCHF: Multiconfigurational Hartree-Fock, MCDHF: Multiconfigurational Dirac-Hartree-Fock, (R)CI: (Relativistic) Configuration-Interaction, B-sp: B-spline, DB-sp: Dirac-B-spline, R-mat: R-matrix.

Note that BSR (and DBSR) are not maintained by CompAS - see the Amos Gateway for more info: amosgateway.org/bsr.

Inquiries

For code/method specific inquries, contact a relevant CompAS developer.
Contact J. Grumer (Uppsala University) at jon.grumer[at]physics.uu.se for general questions regarding the code development at github/compas.

References

[1] Froese Fischer, Tachiev, Gaigalas & Godefroid CPC 176 559 (2007)
[2] Froese Fischer, Gaigalas, Jönsson & Bieroń CPC 237 184 (2018)
[3] Froese Fischer CPC 182 1315 (2011)
[4] Zatsarinny & Froese Fischer CPC 202 287 (2016)
[5] Fritzsche CPC 183 1525 (2012)
[6] Zatsarinny CPC 174 273 (2006)
[7] Froese Fischer CPC 128 635 (2000)
[8] Froese Fischer, Brage & Jönsson “Computational Atomic Structure: An MCHF Approach” New York: Routledge (1997)