Revision 940 - (view) (annotate) - [select for diffs]
Modified Tue Jan 13 22:34:55 2004 UTC (20 years, 5 months ago) by gezelter
File length: 12411 byte(s)
Diff to previous 891

Some changes for new MPI organization and direct charge-charge interactions

More profiling fixes.

Revision 887 - (view) (annotate) - [select for diffs]
Modified Fri Dec 19 17:25:00 2003 UTC (20 years, 6 months ago) by mmeineke
File length: 11873 byte(s)
Diff to previous 884

added some profiling routines

added some profile functionality

Revision 858 - (view) (annotate) - [select for diffs]
Modified Fri Nov 7 21:46:56 2003 UTC (20 years, 7 months ago) by chuckv
File length: 11849 byte(s)
Diff to previous 853

Added support for compiling fortran without use of mpich modules. We use mpif.h instead.:

did a merge by hand from the new-templateless branch to the main trunk.

bug Fixes include:
  * fixed the switching function from ortho to non-ortho box.
         !!!!! THis was responsible for all of the sudden deaths we saw.
  * some formating in the string when we write out the extended system state.
  * added NPT.cpp to the makefile.in

Revision 840 - (view) (annotate) - [select for diffs]
Modified Wed Oct 29 14:29:12 2003 UTC (20 years, 8 months ago) by gezelter
File length: 11688 byte(s)
Diff to previous 829

C++ compatibility for templates

replace c++ header stuff with more portable c header stuff
Also, mod file fixes and portability changes
Some fortran changes will need to be reversed.

Revision 826 - (view) (annotate) - [select for diffs]
Modified Mon Oct 27 23:00:59 2003 UTC (20 years, 8 months ago) by gezelter
File length: 11532 byte(s)
Diff to previous 812

Stuff for MOD support in other compilers

added a new NPT integrator, NPTxyz. It scales the x, y, and z direction sepeartely. no box skew allowed.

Revision 804 - (view) (annotate) - [select for diffs]
Modified Thu Oct 16 19:16:24 2003 UTC (20 years, 8 months ago) by mmeineke
File length: 11501 byte(s)
Diff to previous 785

Changed DumpReader to use linked lists instead of a vector.

Fixed the makefile to build DumpReader.cpp

Removed a comment output in Exclude.cpp

Modified DumpWriter and Integrator to write an eor file every time a frame is written.
This lets the .eor file represent the last written frame of a simulation.

fixes for configure

Revision 780 - (view) (annotate) - [select for diffs]
Modified Mon Sep 22 21:23:25 2003 UTC (20 years, 9 months ago) by mmeineke
File length: 11393 byte(s)
Diff to previous 761

Converted NPTf to work with the NPT base class.

Removed NPTfm and NPTim from cvs

Added integrators to Makefile.in

Revision 747 - (view) (annotate) - [select for diffs]
Added Fri Sep 5 21:28:52 2003 UTC (20 years, 10 months ago) by gezelter
File length: 11296 byte(s)

Changes to autoconf / configure method of configuring OOPSE