大規模系のための汎用分子動力学統合システムTACPACK2000の開発 その3　システム化技術

DOI

書誌事項

タイトル別名
  • Development of General Purpose Molecular Dynamics Simulation System TACPACK 2000 III - Systematization technologies -

抄録

The TACPACK2000 system consists of general purpose molecular dynamics simulators for large scale system of complicated materials such as biopolymer, organic crystal, liquid crystal, polymers, semiconductor, metal and alloy and ceramics and integration system for the simulators. In this presentation, the systematization technologies of the integration system are described. In the database management technology, we have developed the new technology using XML(eXtensible Markup Language) to control uniformly the data composed of molecular structure, crystal structure , potential and pseudopotential function etc. Also in the plug-in function, we have developed the software technologies for program restoration / deletion function to this system, compilation linkage functions of the program and automatic generation function of parameters input screen.

収録刊行物

キーワード

詳細情報 詳細情報について

  • CRID
    1390282680714219648
  • NII論文ID
    130004575130
  • DOI
    10.11545/ciqs.tokusi.0.j25.0
  • データソース種別
    • JaLC
    • CiNii Articles
  • 抄録ライセンスフラグ
    使用不可

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