Revision 2991 - Directory Listing - [select for diffs]
Modified Thu Aug 31 22:34:49 2006 UTC (17 years, 10 months ago) by chrisfen
Diff to previous 2990 , to selected 2101

fixes to zang writing

converted samples over to the OOPSE-4 file format

Fixed an MPI bug in thermodynamic integration

Revision 2917 - Directory Listing - [select for diffs]
Modified Mon Jul 3 13:18:43 2006 UTC (18 years ago) by chrisfen
Diff to previous 2879 , to selected 2101

Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants

MPI thermodynamic integration works now.

Revision 2868 - Directory Listing - [select for diffs]
Modified Mon Jun 19 01:36:06 2006 UTC (18 years ago) by chrisfen
Diff to previous 2759 , to selected 2101

fixes for mpi thermodynamic integration, close to fully working...

Adding single precision capabilities to c++ side

Revision 2365 - Directory Listing - [select for diffs]
Modified Fri Oct 14 14:18:02 2005 UTC (18 years, 8 months ago) by chrisfen
Diff to previous 2364 , to selected 2101

added default restraint spring constants into Globals

rewrite Globals

Revision 2204 - Directory Listing - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (19 years, 2 months ago) by gezelter
Diff to previous 2121 , to selected 2101

xemacs has been drafted to perform our indentation services

added some samples

Revision 2115 - Directory Listing - [select for diffs]
Modified Fri Mar 11 00:43:19 2005 UTC (19 years, 4 months ago) by chrisfen
Diff to previous 2107 , to selected 2101

fixed a bug in MPI restraints

Oops...  MPI now builds...

Revision 2104 - Directory Listing - [select for diffs]
Modified Thu Mar 10 16:27:16 2005 UTC (19 years, 4 months ago) by chrisfen
Diff to previous 2103 , to selected 2101

fixes to restraints

fixing restraints

Revision 2101 - Directory Listing - [selected]
Modified Thu Mar 10 15:10:24 2005 UTC (19 years, 4 months ago) by chrisfen
Diff to previous 1951

First commit of the new restraints code

moved Package variable into subdirectory makefiles to speed up
the building process

Revision 1772 - Directory Listing - [select for diffs]
Modified Tue Nov 23 22:48:31 2004 UTC (19 years, 7 months ago) by chrisfen
Diff to previous 1731 , to selected 2101

Improvements to restraints

working towards parallel restraints

Revision 1537 - Directory Listing - [select for diffs]
Modified Wed Oct 6 21:27:21 2004 UTC (19 years, 9 months ago) by gezelter
Diff to previous 1534 , to selected 2101

Chris doesn't know about the OOPSE-2.0 directory structure yet

made the file reading in restraints more intelligent - no longer gives uninformative seg faults

Revision 1513 - Directory Listing - [select for diffs]
Modified Wed Sep 29 21:55:03 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1503 , to selected 2101

define DEV_ROOT as relative path

change Makefile to relative path

Revision 1492 - Directory Listing - [select for diffs]
Modified Fri Sep 24 16:27:58 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1490 , to selected 2101

change the #include in source files

Import of OOPSE v. 2.0