GitHub - kessel/espresso_lb: The LB branch of ESPResSo stored here temporarily

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Name		Name	Last commit message	Last commit date
Latest commit History 3,075 Commits
XCodeEspresso		XCodeEspresso
admin		admin
chooser		chooser
cmake		cmake
config		config
doc		doc
internal		internal
mpifake		mpifake
mpiwrap		mpiwrap
packages		packages
samples		samples
scripts		scripts
testsuite		testsuite
.cvsignore		.cvsignore
CMakeLists.txt		CMakeLists.txt
Espresso		Espresso
Espresso.in		Espresso.in
Espresso.install_reloc		Espresso.install_reloc
GPL.TXT		GPL.TXT
INSTALL		INSTALL
LICENSE.TXT		LICENSE.TXT
Makefile		Makefile
Makefile-am.am		Makefile-am.am
Makefile-am.in		Makefile-am.in
README		README
RELEASE_NOTES		RELEASE_NOTES
acconfig.h.cmakein		acconfig.h.cmakein
acconfig.h.in		acconfig.h.in
adresso.c		adresso.c
adresso.h		adresso.h
angle.h		angle.h
angledist.h		angledist.h
autogen.sh		autogen.sh
bin.c		bin.c
bin.h		bin.h
binary_file.c		binary_file.c
binary_file.h		binary_file.h
blockfile.c		blockfile.c
blockfile.h		blockfile.h
blockfile_tcl.c		blockfile_tcl.c
blockfile_tcl.h		blockfile_tcl.h
blockfile_test.c		blockfile_test.c
bmhtf-nacl.h		bmhtf-nacl.h
buckingham.h		buckingham.h
cells.c		cells.c
cells.h		cells.h
comfixed.h		comfixed.h
comforce.h		comforce.h
communication.c		communication.c
communication.h		communication.h
config.c		config.c
config.h		config.h
configure		configure
configure-ac		configure-ac
configure.ac		configure.ac
constraint.c		constraint.c
constraint.h		constraint.h
copyright.sh		copyright.sh
darwinlink.sh		darwinlink.sh
debug.c		debug.c
debug.h		debug.h
debye_hueckel.h		debye_hueckel.h
dihedral.h		dihedral.h
domain_decomposition.c		domain_decomposition.c
domain_decomposition.h		domain_decomposition.h
dpd.c		dpd.c
dpd.h		dpd.h
elc.c		elc.c
elc.h		elc.h
endangledist.h		endangledist.h
energy.c		energy.c
energy.h		energy.h
errorhandling.c		errorhandling.c
errorhandling.h		errorhandling.h
ewald.c		ewald.c
ewald.h		ewald.h
fene.h		fene.h
fft.c		fft.c
fft.h		fft.h
forces.c		forces.c
forces.h		forces.h
gb.h		gb.h
ghosts.c		ghosts.c
ghosts.h		ghosts.h
global.c		global.c
global.h		global.h
grid.c		grid.c
grid.h		grid.h
halo.c		halo.c
halo.h		halo.h
harmonic.h		harmonic.h
hertzian.h		hertzian.h
iccp3m.c		iccp3m.c
iccp3m.h		iccp3m.h
imd.c		imd.c
imd.h		imd.h
initialize.c		initialize.c
initialize.h		initialize.h
integrate.c		integrate.c
integrate.h		integrate.h

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PROGRAMM:
===============================================================================

Espresso is a parallel molecular dynamics program.  It uses Tcl
(http://tcl.activestate.com) as controlling language to allow great
flexibility.

GETTING STARTED:
===============================================================================

System requirements:
Script language:   tcl 8.4 or higher
OS:                Linux, Unix, MacOS X,...

CODE COMPILATION
===============================================================================

Configure using ./configure
Compile using   make (must be GNU compatible, on some systems call gmake)

Installation is not necessary, if you set the ESPRESSO_SOURCE and ESPRESSO_SCRIPTS
environment variables to the source directory location and to the location of
its subfolder "scripts", respectively. In that case Espresso is started via
"Espresso" from the source directory.

If you install Espresso, the environment variables do not have to be set. Just make
sure, that the installation binary path is included in your PATH variable. Then
Espresso can be started as "Espresso" from anywhere.

To clean junk from old compilation runs:
                make clean

For further details, see INSTALL

DOCUMENTATION
===============================================================================

To generate documentation (requires doxygen to be installed):

change into the Espresso source directory and execute
                gmake docu

The documentation is in:
HTML version:  doc/html/index.html


CVS
===============================================================================

The Espresso CVS is located on cvsth.mpip-mainz.mpg.de. Currently, there is no
anonymous CVS access, so you need a personal account to access CVS.
The CVS root is /cvs/cvsroot

You need to tell cvs to access the server via ssh by setting the environment
variable CVS_RSH to ssh. Then you get your private copy by
                cvs -d :ext:<me>@cvsth.mpip-mainz.mpg.de:/cvs/cvsroot heckout Espresso 

This will create a new directory Espresso in the CWD, containing an
up-to-date version of Espresso.