𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Matrix formulation of the Picard method for parallel computation

✍ Scribed by Terry Feagin; Paul Nacozy

Book ID
105128336
Publisher
Springer Netherlands
Year
1983
Tongue
English
Weight
359 KB
Volume
29
Category
Article
ISSN
1572-9478

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Combination method for parallel computat
Combination method for parallel computation in ODE
✍ Xiaoqiu Song; Yuan Zhaoding; Degui Liu πŸ“‚ Article πŸ“… 1993 πŸ› Institute of Applied Mathematics, Chinese Academy 🌐 English βš– 213 KB
New method for parallel computation of H
New method for parallel computation of Hessian matrix of conformational energy function in internal coordinates
✍ Shugo Nakamura; Daisuke Kyono; Mitsunori Ikeguchi; Kentaro Shimizu πŸ“‚ Article πŸ“… 2002 πŸ› John Wiley and Sons 🌐 English βš– 195 KB

## Abstract A new algorithm for parallel calculation of the second derivatives (Hessian) of the conformational energy function of biomolecules in internal coordinates is proposed. The basic scheme of this algorithm is the division of the entire calculation of the Hessian matrix (called β€œtask”) into

Parallelization of R-matrix propagation
Parallelization of R-matrix propagation methods on distributed memory computers
✍ A.G. Sunderland; J.W. Heggarty; C.J. Noble; N.S. Scott πŸ“‚ Article πŸ“… 1998 πŸ› Elsevier Science 🌐 English βš– 865 KB

The R-matrix and Logarithmic Derivative methods are numerically very stable and are therefore ideal for integrating the large sets of coupled second-order linear differential equations which arise in non-exchange scattering problems (e.g., electron scattering by atoms and molecules). These calculati