This is the guide for tables and programs for modulated and quasicrystal structure analyses, which are downloadable via web (http://quasi.nims.go.jp/yamamoto/).
The source codes and binaries (for Windows, Mac, and Linux) of all the programs listed below are now available. Most codes are written in fortran 90 but small parts are written in C++. Binary files included in a package were compiled by GNU compiler gfortran and g++ for Linux and Mac, while g95 and g++ for Windows. Source codes can be compiled by the same compilers in Linux, Mac and Windows under MSYS and MinGW. You may need to compile the source codes due to the inconsistent library version or any other reasons. Then edit makefile in the top directory directly so as to choose your OS (one of ARC = 86 for Linux, 86_64 for 64bit Linux, mac for Mac, win for Windows). (In the makefile, characters after # in each line are regarded as a comment.) Then "make" command typed at the top directory will create new binary files for your operating system in bin_86, bin_86_64, bin_mac or bin_win depending on the chosen OS. (In Windows gfortran or g95 may not be installed. Install one of them and choose a compiler by FC = gfortran or FC = g95 in the makefile.) Each (source or binary) package includes "help" directory, in which there are html files for the input data instruction.
For Windows users. It is convenient to install packages under the home directory in msys. MSYS provides a minimum Unix environment under Windows OS and the terminal emulator in MSYS is better than "command prompt" included in Windows. (Any other compilers for Windows are available in Windows OS but then you may need a completely different makefile. Note that the current installation procedure is applicable only under the use of MSYS and MinGW in Windows OS.)
For Linux user. The binary files are compiled on a
32bit x86 machine running under Fedora 6. Since there are
many cpu archtectures running under Linux OS, we can not give
binaries for all but only for x86 machine. Please compile
source codes for any other machines and/or older or newer
Linux OS.
After installing each package, you need to set an enviroment variable CLCMPPATH, which is the location (path) of "gprim.ps" file. This is included at the top directory in each package. If you install several packages, you can specify one location of the "gprim.ps" file. Add also the path of binary files (bin_86, bin_win or bin_mac) in each package in the PATH environment variable. (Use control panel in Windows, while in Linux or Mac, you can edit .bash_profile or .cshrc in your home directory depending on the shell you use.)
All the programs are terminal_based, so that you need terminal emulators even in Windows OS. In a terminal emulator, you can use all the program except for extrhkl by typing a command name followed by "< standard_input_file". The standard_input file should includes all the necessary informations for a program. (The symbol "<" is necessary between the command name and standard input file name.) For the data format of the standard_input_file for each programs, see the help file with the program name. The program extrhkl needs no standard input file. Just type the command name and reply to questions shown in the terminal.
For downloading source files, press download QUASI07_08_f90.tgz
(Last modified Apr. 24, 2009)
For downloading source files, press download QUASI07_08_f90_1.tgz
(Last modified Aug. 3, 2009)
For downloading binaries for Linux 86, press download QUASI07_08_f90_bin_86.tgz
For downloading binaries for MacOSX ppc, press download QUASI07_08_f90_bin_mac.tgz
For downloading binaries for Windows, press download QUASI07_08_f90_bin_win.tgz
(Last modified Oct. 31, 2007).
In QUASI07_08_f90.tgz, there are example input files for all programs but extrhkl, so the example file of extrhkl is now added.
Please download inputdata_new.tgz.(Last modified Sept. 1, 2008)
For downloading source files, press download REMOS95.1_3.tgz
For downloading binaries for Linux 86, press download REMOS95.1_3_bin_86.tgz
For downloading binaries for MacOSX ppc, press download REMOS95.1_3_bin_mac.tgz
For downloading binaries for Windows, press download REMOS95.1_3_bin_win.tgz
(Last modified Oct. 31, 2007),
For publications using these programs, the following
paper should be cited. Akiji Yamamoto,Acta Crystallogr. A38, 87-92,
(1982).
The new version of the above package automatically calculates constraint conditions for special positions, which are imposed by the site symmetry of each atoms and in some cases they are very complicated. This can not however impose additional fictitious constraint conditions.
For downloading source files, press download REMOS2k_f90.tgz(beta version)
(Last modified Feb. 20, 2008)
For downloading binaries for Linux 86, press download REMOS2k_f90_bin_86.tgz
For downloading binaries for MacOSX ppc, press download REMOS2k_f90_bin_mac.tgz
For downlading binaries for Windows, press download REMOS2k_f90_bin_win.tgz
(Last modified Dec. 28, 2007),
For compiling source codes, I recommend to use intel compiler in Linux.
Then you need to modify makefiles. FC=gfortran and CC=g++ (if any) should be replaced
by FC=ifort and FC=icc (in Windows, FC=g95 and CC=g++), respectively After that, "make clean" and "make" will
create binary files. (For the use of gfortran and g++, use -O0 (optimize) option in COPT=, FCOPT=
etc. Currently, the use of -O1, -O2, or -O3 option in gnu fortran and c++ may not work because of unknown reasons.)
For publications using the new version programs except for lodemac,
the following papers should be cited.
Akiji Yamamoto,Acta Crystallogr. A38, 87-92,
(1982), Akiji Yamamoto, Ferroelectrics 250 (2001) 139-142.
The program lodemac included in this package is the same as in
QUASI07_08.tgz, so that the paper mentioned before should be cited.
email: yamamoto.akiji@nims.go.jp