Parallelization of a Chemical Bonding Density Analysis Program : an MPI Implementation
碩士 === 國立中興大學 === 應用數學系所 === 101 === The main function of the chemical bond density analysis program is to divide the results (the space distribution of the total charge density in the material system) calculated by the Cambridge Sequential Total Energy Package (CASTEP) into nine chemical bonds with...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
2013
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| Online Access: | http://ndltd.ncl.edu.tw/handle/84sfdc |