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giveAtomPosition
- vasp做纳米材料的结构优化后,OUTCAR中最后的原子坐标可以用这段fortran代码来执行提取。-optimization of the structure of nanomaterials vasp do, OUTCAR final atomic coordinates can be used during this fortran code to perform the extraction.
Parallel Programming in Fortran95 using OpenMP
- 基于OpenMP并行优化算法(Fortran 95)(Parallel Programming in Fortran95 using OpenMP)