Parallelization of the variational fitting of the Coulomb potential
The parallelization of the three center electron repulsion integrals arising from the variational fitting of the Coulomb potential is presented. A scheme for dynamical load balancing of the corresponding loop structure is discussed. The implementation in the densityn functional theory program deMon...
Gorde:
| Argitaratua izan da: | Superficies y vacío |
|---|---|
| Egile Nagusiak: | , , , , |
| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
Sociedad Mexicana de Ciencia y Tecnología de Superficies y Materiales A.C.
2005
|
| Gaiak: | |
| Sarrera elektronikoa: | https://www.redalyc.org/articulo.oa?id=94218101 |
| Etiketak: |
Etiketarik gabe, Izan zaitez lehena erregistro honi etiketa jartzen!
|