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README 2012-11-29 1.6 kB
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Dear current and future feram users,

I released feram-0.19.08.tar.xz from
http://sourceforge.net/projects/loto/files/feram/ .

"feram" is a fast molecular dynamics (MD) simulator
for bulk and thin-film ferroelectrics. Its homepage is
http://loto.sourceforge.net/feram/ .

This version 0.19.08 contains bug-fixed src/coord_module.F.
With this fix, feram will write the whole system,
not half of the system, into .coord files, when
bulk_or_film = 'film' or 'epit'.  Now, you can perform
cooling-down and heating-up simulations of films.
See src/17example-PbTiO3-100-900K/coolflm.sh
and src/17example-PbTiO3-100-900K/heatflm.sh.

From the version 0.19.07, a new tag "distribution_directory"
is introduced to control .distribution and .distribution3d
output files. You can use distribution3d2ppm command
for visualization of 3-dimensional distribution of dipole
vector u. See README.en, README.ja, average_module.F
and distribution3d2ppm.F.

From the version 0.19.06, a new tag "coord_directory" is
introduced. It controls the directory into which .coord files
will be stored.

From the version 0.19.05, FFTW_MEASURE is used for the FFTW
Planner Flag instead of FFTW_PATIENT. For more details,
 $ grep FFTW_MEASURE src/coord_module.F
and see http://www.fftw.org/doc/Planner-Flags.html .
Use fft_check to boost up your calculations.

From the version 0.19.05, You cannot compile feram with
OFORT90 (Hitachi Fortran). Use xlf90_r (IBM XL Fortran)
for SR16000.

From the version 0.19.04, feram tries to import
'wisdom' file from current directory or /etc/fftw/wisdom.

Enjoy,
-- Takeshi
Source: README, updated 2012-11-29