loto Files

Dear current and future feram users,

I released feram-0.21.04.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/ .

We wrote and submit a paper entitled "Direct molecular
dynamics simulation of electrocaloric effect in BaTiO3"
Please go to http://arxiv.org/abs/1307.7011 . Input files
are in feram-0.21.04/src/26example-BaTiO3-acoustic-MD/ .

In this feram-0.21.04, I have done some renames and
refactorings of source code. For example, fft.F was
renamed to fft_wrappers.F.

From the version 0.21.02, you can apply uniaxial normal
stress by giving three values to GPa, "GPa = 0.0 0.0 -3.0".

From the version 0.21.01, you can do leapfrog MD with
acoustic displacements, i.e. acoustic_mass_amu > 0.
See src/09example-BaTiO3-bulk-leap-frog/.

From the version 0.21.00, qudratic inter-atomic force
constant (IFC) matrices can be read from .quadratic file.
See src/25example-BaTiO3-read-quadratic/ .

From the version 0.21.00, parameters for GNUPLOT will
be written into .param.gp file, not into .param file.

Currently, a hysteresis loop calculation of *film* with
acoustic_mass_amu goes wrong. A strange peak appears in the beginning.
See src/23example-BaTiO3-new-param-hl-film-acoustic-mass/.
Bulk calculations go very fine.

Enjoy,
-- Takeshi