X-PLOR uses a fast Fourier transformation method for the computation of the structure factors and their first derivatives.
High efficiency is achieved on supercomputers by the use of special assembly-coded routines.
FFT calculations, accomplishing a high degree of vectorization. To avoid memory contingency problems, the physical dimension of the 3-D matrix is increased by one. To avoid memory contingency problems, the physical dimension of the 3-D matrix is increased by one. To do so, follow the installation script file. In the case of all other computers, source code for the Temperton FFT routines is supplied in the corresponding machine-specific module.