[ViewVC] Log of: OpenMD/trunk/ac-tools

Revision 1210 - Directory Listing - [select for diffs]
Modified Wed Jan 23 03:45:33 2008 UTC (17 years, 4 months ago) by gezelter
Diff to previous 1206

Removed older version of openbabel from our code.  We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need.  Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.

Revision 1206 - Directory Listing - [select for diffs]
Modified Sat Dec 8 00:15:09 2007 UTC (17 years, 5 months ago) by chuckv
Diff to previous 1201

Changes to optimization flags.

Revision 1201 - Directory Listing - [select for diffs]
Modified Fri Dec 7 00:48:28 2007 UTC (17 years, 5 months ago) by chuckv
Diff to previous 1200

Define USE_QHULL.

Revision 1200 - Directory Listing - [select for diffs]
Modified Fri Dec 7 00:00:05 2007 UTC (17 years, 5 months ago) by chuckv
Diff to previous 1197

New configure

Revision 1197 - Directory Listing - [select for diffs]
Modified Thu Dec 6 20:40:07 2007 UTC (17 years, 5 months ago) by chuckv
Diff to previous 1191

Added CGAL test

Revision 1191 - Directory Listing - [select for diffs]
Modified Thu Dec 6 19:39:00 2007 UTC (17 years, 5 months ago) by chuckv
Diff to previous 1186

Added configure for CGAL.

Revision 1186 - Directory Listing - [select for diffs]
Modified Wed Nov 14 22:40:07 2007 UTC (17 years, 6 months ago) by gezelter
Diff to previous 1141

Added m4 file for qhull

Revision 1141 - Directory Listing - [select for diffs]
Modified Wed May 30 18:47:04 2007 UTC (18 years ago) by chuckv
Diff to previous 1137

Fixed more bugs and removed more CGAL.

Revision 1137 - Directory Listing - [select for diffs]
Modified Tue May 29 22:50:14 2007 UTC (18 years ago) by chuckv
Diff to previous 1099

Removed CGAL from OOPSE and replaced it with qhull.

Revision 1099 - Directory Listing - [select for diffs]
Modified Tue Dec 19 15:45:03 2006 UTC (18 years, 5 months ago) by gezelter
Diff to previous 1085

fixed a configuration error

Revision 1085 - Directory Listing - [select for diffs]
Modified Mon Oct 23 18:11:06 2006 UTC (18 years, 7 months ago) by chuckv
Diff to previous 1064

Changes to nanorod builder for new dump format. Changes to configure to test for new version of cgal.

Revision 1064 - Directory Listing - [select for diffs]
Modified Tue Oct 10 14:36:02 2006 UTC (18 years, 7 months ago) by chrisfen
Diff to previous 1036

oops with the affineScale

Revision 1036 - Directory Listing - [select for diffs]
Modified Mon Sep 4 13:37:15 2006 UTC (18 years, 8 months ago) by gezelter
Diff to previous 1024

changing configure script to process the new utilities

Revision 1024 - Directory Listing - [select for diffs]
Modified Wed Aug 30 18:42:29 2006 UTC (18 years, 9 months ago) by tim
Diff to previous 1013

Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.

Revision 1013 - Directory Listing - [select for diffs]
Modified Wed Jul 26 21:01:07 2006 UTC (18 years, 10 months ago) by gezelter
Diff to previous 1003

added perl substitution for affineScale script

Revision 1003 - Directory Listing - [select for diffs]
Modified Fri Jul 14 14:47:19 2006 UTC (18 years, 10 months ago) by xsun
Diff to previous 1002

Fixed a bug in the fftw part of the configure script.

Revision 1002 - Directory Listing - [select for diffs]
Modified Fri Jul 7 19:44:54 2006 UTC (18 years, 10 months ago) by gezelter
Diff to previous 988

removed icc from C++ search lines, did some formatting work
on GB module, mucked around with a GB example

Revision 988 - Directory Listing - [select for diffs]
Modified Thu Jun 15 18:38:58 2006 UTC (18 years, 11 months ago) by gezelter
Diff to previous 975

added mpi compilers, demoted pg compilers after pathscale

Revision 975 - Directory Listing - [select for diffs]
Modified Thu May 25 15:24:29 2006 UTC (19 years ago) by gezelter
Diff to previous 974

more changes

Revision 974 - Directory Listing - [select for diffs]
Modified Thu May 25 15:19:34 2006 UTC (19 years ago) by gezelter
Diff to previous 973

more changes for MPICH with profiling libraries required

Revision 973 - Directory Listing - [select for diffs]
Modified Thu May 25 14:54:41 2006 UTC (19 years ago) by gezelter
Diff to previous 972

MPI stuff

Revision 972 - Directory Listing - [select for diffs]
Modified Wed May 24 18:31:12 2006 UTC (19 years ago) by gezelter
Diff to previous 962

fixes for Hydrodynamics

Revision 962 - Directory Listing - [select for diffs]
Modified Wed May 17 19:54:27 2006 UTC (19 years ago) by gezelter
Diff to previous 961

Adding single precision capabilities to the fortran side

Revision 961 - Directory Listing - [select for diffs]
Modified Wed May 17 16:10:16 2006 UTC (19 years ago) by gezelter
Diff to previous 960

adding --enable-single to configure script

Revision 960 - Directory Listing - [select for diffs]
Modified Wed May 17 15:37:15 2006 UTC (19 years ago) by gezelter
Diff to previous 958

Getting fortran side prepped for single precision...

Revision 958 - Directory Listing - [select for diffs]
Modified Wed May 17 03:03:03 2006 UTC (19 years ago) by gezelter
Diff to previous 957

zlib fixes

Revision 957 - Directory Listing - [select for diffs]
Modified Tue May 16 20:38:23 2006 UTC (19 years ago) by gezelter
Diff to previous 956

Autoconf fixes for FFTW.  Multiple FFTW version support.

Revision 956 - Directory Listing - [select for diffs]
Modified Tue May 16 02:06:37 2006 UTC (19 years ago) by gezelter
Diff to previous 952

*** empty log message ***

Revision 952 - Directory Listing - [select for diffs]
Modified Fri May 5 14:34:20 2006 UTC (19 years ago) by tim
Diff to previous 945

finding ifort arguments that won't die under two different versions
of the intel fortran compiler

Revision 945 - Directory Listing - [select for diffs]
Modified Tue Apr 25 02:09:01 2006 UTC (19 years, 1 month ago) by gezelter
Diff to previous 938

Adding spherical boundary conditions to LD integrator

Revision 938 - Directory Listing - [select for diffs]
Modified Mon Apr 17 21:49:12 2006 UTC (19 years, 1 month ago) by gezelter
Diff to previous 928

Many performance improvements

Revision 928 - Directory Listing - [select for diffs]
Modified Mon Apr 3 15:37:43 2006 UTC (19 years, 1 month ago) by chuckv
Diff to previous 863

Added status module to simParallel for error reporting.

Revision 863 - Directory Listing - [select for diffs]
Modified Fri Jan 13 15:48:46 2006 UTC (19 years, 4 months ago) by gezelter
Diff to previous 859

changed compiler search order

Revision 859 - Directory Listing - [select for diffs]
Modified Thu Jan 12 20:52:07 2006 UTC (19 years, 4 months ago) by gezelter
Diff to previous 847

added some missing checks for header files (particularly zlib.h)

Revision 847 - Directory Listing - [select for diffs]
Modified Wed Jan 11 23:04:09 2006 UTC (19 years, 4 months ago) by gezelter
Diff to previous 819

autoconf modernization and cruft-removal

Revision 819 - Directory Listing - [select for diffs]
Modified Fri Dec 16 21:52:50 2005 UTC (19 years, 5 months ago) by tim
Diff to previous 818

changed __FUNCTION__ to __func__ to match C99 standard, and then added
an autoconf test to check for __func__ usability.  Changed some default
compile flags for the Sun architecture

Revision 818 - Directory Listing - [select for diffs]
Modified Fri Dec 16 19:01:47 2005 UTC (19 years, 5 months ago) by gezelter
Diff to previous 811

added the STL check

Revision 811 - Directory Listing - [select for diffs]
Modified Thu Dec 15 14:47:17 2005 UTC (19 years, 5 months ago) by gezelter
Diff to previous 806

Adding checks for various features used by ANTLR

Revision 806 - Directory Listing - [select for diffs]
Modified Fri Dec 9 17:11:12 2005 UTC (19 years, 5 months ago) by gezelter
Diff to previous 803

added some checks for pathscale compiler

Revision 803 - Directory Listing - [select for diffs]
Modified Thu Dec 8 22:04:30 2005 UTC (19 years, 5 months ago) by gezelter
Diff to previous 774

added pathscale

Revision 774 - Directory Listing - [select for diffs]
Modified Fri Dec 2 20:09:55 2005 UTC (19 years, 5 months ago) by gezelter
Diff to previous 768

added check for egrep (grep -E) needed for new build of libOOPSE.a

Revision 768 - Directory Listing - [select for diffs]
Modified Tue Nov 29 22:54:21 2005 UTC (19 years, 6 months ago) by chuckv
Diff to previous 753

added checks for some functions to configure script

Revision 753 - Directory Listing - [select for diffs]
Modified Thu Nov 17 20:39:38 2005 UTC (19 years, 6 months ago) by gezelter
Diff to previous 616

Adding some checks for OpenBabel code

Revision 616 - Directory Listing - [select for diffs]
Modified Tue Sep 20 22:03:35 2005 UTC (19 years, 8 months ago) by gezelter
Diff to previous 566

added check for zlib in configure

Revision 566 - Directory Listing - [select for diffs]
Modified Wed Jul 20 17:04:42 2005 UTC (19 years, 10 months ago) by gezelter
Diff to previous 506

fixed ACX_MPI to ignore some text error messages from pathscale compiler

Revision 506 - Directory Listing - [select for diffs]
Modified Fri Apr 15 22:03:16 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 502

Jedi mind-trick warning messages have been added to
make users ignore CGAL.

Revision 502 - Directory Listing - [select for diffs]
Modified Thu Apr 14 21:41:56 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 493

configure now searches for perl to use with filepp

Revision 493 - Directory Listing - [select for diffs]
Modified Wed Apr 13 22:30:22 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 397

added CGAL checks

Revision 397 - Directory Listing - [select for diffs]
Modified Fri Mar 4 15:29:03 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 345

SPRNG eradication project

Revision 345 - Directory Listing - [select for diffs]
Modified Tue Feb 15 15:17:01 2005 UTC (20 years, 3 months ago) by gezelter
Diff to previous 343

*** empty log message ***

Revision 343 - Directory Listing - [select for diffs]
Modified Tue Feb 15 06:11:22 2005 UTC (20 years, 3 months ago) by gezelter
Diff to previous 342

bugfixing residentMem

Revision 342 - Directory Listing - [select for diffs]
Modified Tue Feb 15 05:59:14 2005 UTC (20 years, 3 months ago) by gezelter
Diff to previous 340

bugfixes for residentMem on LINUX

Revision 340 - Directory Listing - [select for diffs]
Modified Tue Feb 15 05:05:33 2005 UTC (20 years, 3 months ago) by gezelter
Diff to previous 339

modifications to estimate memory in use by other processes
autoconf fixes
ps syntax checking
config.h file cleaning

Revision 339 - Directory Listing - [select for diffs]
Modified Mon Feb 14 23:26:25 2005 UTC (20 years, 3 months ago) by gezelter
Diff to previous 338

ps niceness

Revision 338 - Directory Listing - [select for diffs]
Modified Mon Feb 14 23:16:48 2005 UTC (20 years, 3 months ago) by gezelter
Diff to previous 313

ps strangeness

Revision 313 - Directory Listing - [select for diffs]
Modified Fri Feb 11 22:35:51 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 263

adding supprot for physmem

Revision 263 - Directory Listing - [select for diffs]
Modified Fri Jan 14 20:15:58 2005 UTC (20 years, 4 months ago) by gezelter
Diff to previous 262

more fixes for gnugetopt

Revision 262 - Directory Listing - [select for diffs]
Modified Fri Jan 14 20:09:26 2005 UTC (20 years, 4 months ago) by gezelter
Diff to previous 126

fixing for gnugetopt

Revision 126 - Directory Listing - [select for diffs]
Modified Wed Oct 20 21:16:01 2004 UTC (20 years, 7 months ago) by chuckv
Diff to previous 86

Fortran/C++ interface de-obfuscation project appears to be complete!  Woo hoo!

Revision 86 - Directory Listing - [select for diffs]
Modified Fri Oct 15 19:38:12 2004 UTC (20 years, 7 months ago) by chuckv
Diff to previous 49

Changed optimization flags for XLF and XLC.

Revision 49 - Directory Listing - [select for diffs]
Modified Wed Oct 6 23:03:34 2004 UTC (20 years, 7 months ago) by gezelter
Diff to previous 44

more build fixes

Revision 44 - Directory Listing - [select for diffs]
Modified Wed Oct 6 21:22:43 2004 UTC (20 years, 7 months ago) by gezelter
Diff to previous 27

cleaning up build process

Revision 27 - Directory Listing - [select for diffs]
Modified Fri Oct 1 21:22:27 2004 UTC (20 years, 8 months ago) by gezelter
Diff to previous 20

A few minor build changes

Revision 20 - Directory Listing - [select for diffs]
Modified Wed Sep 29 17:57:47 2004 UTC (20 years, 8 months ago) by gezelter
Diff to previous 10

updates

Revision 10 - Directory Listing - [select for diffs]
Modified Tue Sep 28 22:14:11 2004 UTC (20 years, 8 months ago) by gezelter
Diff to previous 2

starting a configure version

Revision 2 - Directory Listing - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (20 years, 8 months ago) by gezelter

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