10.3 PRIMA

• v3.5.6 (2006/03/23): Changed the type of a variable to adjust estimated standard deviations of |F_o|'s from INTEGER to REAL. Modified screen and file outputs slightly.
• v3.5.5 (2006/03/21): Made it possible to output 3D text data files, *.den, in the batch mode; a file name with the extension of 'den' should be described in *.prf to use this feature.
• v3.5.4 (2005/10/22): Fixed a serious bug with the G-constraint.
• v3.5.3 (2005/07/22): Corrected several improper screen and file outputs. Added batch files, *.bat, to run PRIMA.EXE by double-clicking on the icon of *.bat. With *.bat, it is no longer necessary to describe the absolute paths of input and output files in *.prf.
• v3.5.2 (2004/12/22): Fixed a bug with the input of initial electron/nuclear densities in the unit cell from a binary file, *.pri, output by PRIMA.
• v3.5.1 (2004/07/08): Corrected a typographical error in the screen output, i.e., from 'G-constaint' to 'G-constraint'.
• v3.5 (2004/06/15): Slightly modified output on the screen. Fully optimized for Pentium 4 processors with Visual Fortran for Windows v6.6C3, which decreased the size of PRIMA.exe from 612 KB to 456 KB.
• v3.4.9 (2004/06/12): Fixed a trouble with the MEM analysis of noncentrosymmetric crystals; this bug invaded PRIMA in v3.4.8.
• v3.4.8 (2004/05/29): Tried to minimize the number of GO TO statements, hoping that this is the final reformation of the source code.
• v3.4.7 (2004/04/17): Rewrote parts of the source code where OPEN and WRITE statements include ERR branch specifiers, which considerably decreased the number of awkward GO TO statements.
• v3.4.6 (2004/04/16): Rewrote many lines in conformity with the grammar of Fortran 90. There are no feature enhancements or incompatibilities with v3.4.5.
• v3.4.5 (2004/04/13): Changed 'raw file' into 'raw data file' in the screen output, where numbers of '-' (minus) in two lines were also changed.
• v3.4.4 (2004/04/06): Replaced FUNCTION ETIME (a UNIX library routine) with SUBROUTINE CPU_TIME which is a new intrinsic procedure in Fortran 95. Deleted two unnecessary lines.
• v3.4.3 (2004/02/19): Changed 'Lagrange multiplier' into 'Lagrangian multiplier' in the screen output, again, hoping that this is the final correction. Modified redundancy code.
• v3.4.2 (2004/02/13): Changed 'Lagrange multiplier' into 'Lagrangian multiplier' in the screen output, Manual.pdf, and PRIMA.pdf.
• v3.4.1 (2004/02/12): Corrected typographical errors in the screen output, i.e., from 'Langrange' to 'Lagrange'. Corrected errors in Manual.pdf and Readme.txt.
• v3.4 (2004/01/29): Corrected an error in the screen output, i.e., from 'Standard data file' to 'Standard output file'. The flag for the G-constraint is 0 (the G-constraint is not used) by default. Updated all the preferences files, *.prf. Fully optimized for Pentium 4 processors with Intel Visual Fortran Compiler 8.0 for Windows.
• v3.3.1 (2004/01/16): Modified questions displayed in the screen. Updated templates of preferences files, *.prf. Corrected several errors in Manual.pdf.
• v3.3 (2004/01/15): Added support for reading in MEM data set binary files, *.fos, output by RIETAN-2000 Rev. 1.5 or later. Hereafter, MEM data set text files, *.mem, should be used only for single-crystal diffraction data. The Lagrangian multiplier is input not by RIETAN-2000 but by PRIMA when reading in *.fos.
• v3.2.1 (2004/01/13): Increased the maximum length of the absolute path + file name for each input/output file from 256 to 512.
• v3.2 (2004/01/09): A coefficient, SCIO, to adjust |F_o|'s obtained with RIETAN-2000 is now input by PRIMA. Therefore, we no longer need to run RIETAN-2000 several times to determine the optimum value of SCIO by trial and error. MEM data set files, *.mem, output by RIETAN-2000 Rev. 1.4 or later can be input by this version of PRIMA.
• v3.1 (2004/01/05): PRIMA outputs binary files, *.pri or *.prim, storing 3D densities in the unit cell to save disk spaces considerably; text files, *.den, are no longer created. F_c(MEM) data for MPF with RIETAN-2000 Rev. 1.3 or later are also recorded in binary files, *.fba.
• v3.0.1 (2003/12/12): Fixed an issue with the analysis of neutron diffraction data of noncentrosymmetric crystals containing elements with negative coherent-scattering lengths.
• v3.0 (2003/11/05): Fixed a serious bug causing a deviation of the total number of electrons (the sum of coherent scattering lengths in neutron diffraction) in the unit cell from that specified by the user. Changed part of the screen output. Added a column for observed and calculated structure factors in the standard output, *.out.
• v2.5.2 (2003/10/25): Corrected a typographical error in the screen output, i.e., 'Langrange' --> 'Lagrange'.
• v2.5.1 (2003/10/14): Further optimization that decreases the execution time by 5-10 %.
• v2.5.0 (2003/10/09): Optimization that approximately halves execution times.