Matrix: Meng/iChem_Jacobian
Description: computational chemistry, Lingyi Meng, iChem, China
![]() |
![]() |
| (bipartite graph drawing) | (graph drawing of A+A') |
![]() |
| Matrix properties | |
| number of rows | 274,087 |
| number of columns | 274,087 |
| nonzeros | 4,137,369 |
| structural full rank? | yes |
| structural rank | 274,087 |
| # of blocks from dmperm | 1 |
| # strongly connected comp. | 1 |
| explicit zero entries | 0 |
| nonzero pattern symmetry | 98% |
| numeric value symmetry | 65% |
| type | complex |
| structure | unsymmetric |
| Cholesky candidate? | no |
| positive definite? | no |
| author | L. Meng |
| editor | T. Davis |
| date | 2015 |
| kind | computational chemistry problem |
| 2D/3D problem? | no |
| Additional fields | size and type |
| b | sparse 274087-by-1 |
Notes:
Jacobian matrix from a computational chemistry problem.
Lingyi Meng, Collaborative Innovation Center of Chemistry for
Energy Materials (iChem), Xiamen University, Fujian, China,
www.2011-ichem.org. The matrix is complex, and has a sparse
and real right-hand-side.
References:
Lingyi Meng, ChiYung Yam, SiuKong Koo, Quan Chen, Ngai Wong, and
GuanHua Chen, Dynamic Multiscale Quantum Mechanics/Electromagnetics
Simulation Method, J. of Chemical Theory and Computation, 2012,
vol 8, pp 1190-1199, dx.doi.org/10.1021/ct200859h
Lingyi Meng, Zhenyu Yin, ChiYung Yam, SiuKong Koo, Quan Chen,
Ngai Wong, and GuanHua Chen, Frequency-domain multiscale quantum
mechanics/electromagnetics simulation method, J. of Chemical
Physics 139, 244111 (2013); doi: 10.1063/1.4853635
| Ordering statistics: | result |
| nnz(chol(P*(A+A'+s*I)*P')) with AMD | 569,339,443 |
| Cholesky flop count | 4.4e+12 |
| nnz(L+U), no partial pivoting, with AMD | 1,138,404,799 |
| nnz(V) for QR, upper bound nnz(L) for LU, with COLAMD | 856,657,897 |
| nnz(R) for QR, upper bound nnz(U) for LU, with COLAMD | 1,510,779,718 |
For a description of the statistics displayed above, click here.
Maintained by Tim Davis, last updated 05-Jun-2015.
Matrix pictures by cspy, a MATLAB function in the CSparse package.
Matrix graphs by Yifan Hu, AT&T Labs Visualization Group.