Implementation method and implementation device for calculation tasks of SIESTA (Spanish initiative for electronic simulations with thousands of atoms)

The invention discloses an implementation method and an implementation device for calculation tasks of an SIESTA (Spanish initiative for electronic simulations with thousands of atoms). The implementation method includes acquiring a calculation command inputted by a user; analyzing the calculation c...

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Bibliographic Details
Main Authors CAO ZHENNAN, TIAN XIANGGUI, FAN JUAN, MA SHAOJIE, LI BIN, HE CANGPING, JIANG JINLIANG, ZHAO MINGKUN, YI CHENG, YANG LIANG, MIAO CHUNBAO, SHEN JIE, CAO ZHENG, LU CHUAN
Format Patent
LanguageChinese
English
Published 26.03.2014
Subjects
CALCULATING
COMPUTING
COUNTING
ELECTRIC DIGITAL DATA PROCESSING
PHYSICS
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Summary:The invention discloses an implementation method and an implementation device for calculation tasks of an SIESTA (Spanish initiative for electronic simulations with thousands of atoms). The implementation method includes acquiring a calculation command inputted by a user; analyzing the calculation command, and determining calculation type and calculation parameters included in the calculation command; substituting the calculation parameters into a preset calculation command statement corresponding to the calculation type, and executing the calculation command statement. According to the technical scheme, the implementation process for the calculation tasks of the SIESTA can be completed without command lines, and the calculation tasks can be completed only through simple operations based on graphical interfaces, so that operation difficulty is greatly lowered, execution efficiency is improved, and error probability is reduced.
Bibliography:Application Number: CN20131643587