ViewVC Help
View Directory | Revision Log | View Changeset | Root Listing
root/group/trunk/mdtools
Revision 151 - Directory Listing - [select for diffs]
Modified Mon Oct 21 22:02:53 2002 UTC (23 years ago) by mmeineke
Diff to previous 150 
making further modifications to make FOrceField objects mpi aware
Revision 150 - Directory Listing - [select for diffs]
Modified Fri Oct 18 21:20:29 2002 UTC (23 years ago) by mmeineke
Diff to previous 149 
*** empty log message ***
Revision 149 - Directory Listing - [select for diffs]
Modified Fri Oct 18 21:20:23 2002 UTC (23 years ago) by mmeineke
Diff to previous 148 

more tinkering with the forcefield event loop
Revision 148 - Directory Listing - [select for diffs]
Modified Fri Oct 18 20:35:53 2002 UTC (23 years ago) by mmeineke
Diff to previous 147 
minor revisions
Revision 147 - Directory Listing - [select for diffs]
Modified Fri Oct 18 20:35:33 2002 UTC (23 years ago) by mmeineke
Diff to previous 146 

more minor changes to the mpi structs
Revision 146 - Directory Listing - [select for diffs]
Modified Fri Oct 18 16:15:05 2002 UTC (23 years ago) by mmeineke
Diff to previous 145 

finished adding in the extra structures needed to pass info through mpi. Still need to add the implementation.
Revision 145 - Directory Listing - [select for diffs]
Modified Fri Oct 18 15:34:21 2002 UTC (23 years ago) by mmeineke
Diff to previous 144 

finished adding the static storage arrays to the atom class
Revision 144 - Directory Listing - [select for diffs]
Modified Thu Oct 17 21:59:12 2002 UTC (23 years ago) by mmeineke
Diff to previous 143 

Changing internal storage of positions, torqes, forces, velocities, etc.

not sure here, still working
Revision 143 - Directory Listing - [select for diffs]
Modified Thu Oct 17 21:58:55 2002 UTC (23 years ago) by mmeineke
Diff to previous 142 

Changing internal storage of positions, torqes, forces, velocities, etc.
Revision 142 - Directory Listing - [select for diffs]
Modified Wed Oct 16 22:24:51 2002 UTC (23 years ago) by chuckv
Diff to previous 141 
*** empty log message ***
Revision 141 - Directory Listing - [select for diffs]
Modified Wed Oct 16 22:24:44 2002 UTC (23 years ago) by chuckv
Diff to previous 140 

adding ForceField mpi awareness


adding mpi FOrceField awareness
Revision 140 - Directory Listing - [select for diffs]
Modified Wed Oct 16 22:24:26 2002 UTC (23 years ago) by chuckv
Diff to previous 139 

adding ForceField mpi awareness
Revision 139 - Directory Listing - [select for diffs]
Modified Wed Oct 16 21:07:16 2002 UTC (23 years ago) by chuckv
Diff to previous 138 
*** empty log message ***
Revision 138 - Directory Listing - [select for diffs]
Modified Wed Oct 16 21:07:02 2002 UTC (23 years ago) by chuckv
Diff to previous 137 

changed mpiInterface.c and .h -> mpiBASS.c and .h for clarity of purpose
Revision 137 - Directory Listing - [select for diffs]
Modified Wed Oct 16 20:02:05 2002 UTC (23 years ago) by chuckv
Diff to previous 136 
*** empty log message ***
Revision 136 - Directory Listing - [select for diffs]
Modified Wed Oct 16 20:01:53 2002 UTC (23 years ago) by chuckv
Diff to previous 135 
Added lhs of assignments..
Revision 135 - Directory Listing - [select for diffs]
Modified Fri Oct 11 17:29:40 2002 UTC (23 years ago) by chuckv
Diff to previous 134 
Fixed double inclusion of mpiBASSEventType with define in
header file.
Revision 134 - Directory Listing - [select for diffs]
Modified Fri Oct 11 15:09:09 2002 UTC (23 years ago) by chuckv
Diff to previous 133 
*** empty log message ***
Revision 133 - Directory Listing - [select for diffs]
Modified Fri Oct 11 15:09:01 2002 UTC (23 years ago) by chuckv
Diff to previous 132 
Clean up with icc debug flags...
Revision 132 - Directory Listing - [select for diffs]
Modified Wed Oct 9 22:56:09 2002 UTC (23 years ago) by chuckv
Diff to previous 131 
*** empty log message ***
Revision 131 - Directory Listing - [select for diffs]
Modified Wed Oct 9 22:29:40 2002 UTC (23 years ago) by chuckv
Diff to previous 130 
*** empty log message ***
Revision 130 - Directory Listing - [select for diffs]
Modified Wed Oct 9 22:29:25 2002 UTC (23 years ago) by chuckv
Diff to previous 129 
Include makefile
Revision 129 - Directory Listing - [select for diffs]
Modified Thu Oct 3 21:57:57 2002 UTC (23 years ago) by chuckv
Diff to previous 128 
quick bug fix to bassDiag
Revision 128 - Directory Listing - [select for diffs]
Modified Thu Oct 3 21:52:46 2002 UTC (23 years ago) by chuckv
Diff to previous 127 
*** empty log message ***
Revision 127 - Directory Listing - [select for diffs]
Modified Thu Oct 3 21:52:39 2002 UTC (23 years ago) by chuckv
Diff to previous 126 

added stamp and template diagnostic features
Revision 126 - Directory Listing - [select for diffs]
Modified Thu Oct 3 20:12:15 2002 UTC (23 years ago) by chuckv
Diff to previous 125 
Added make include.
Revision 125 - Directory Listing - [select for diffs]
Modified Mon Sep 30 21:10:27 2002 UTC (23 years, 1 month ago) by chuckv
Diff to previous 124 
*** empty log message ***
Revision 124 - Directory Listing - [select for diffs]
Modified Mon Sep 30 20:35:42 2002 UTC (23 years, 1 month ago) by chuckv
Diff to previous 123 
*** empty log message ***
Revision 123 - Directory Listing - [select for diffs]
Modified Mon Sep 30 19:37:26 2002 UTC (23 years, 1 month ago) by chuckv
Diff to previous 122 
changed dirs...
Revision 122 - Directory Listing - [select for diffs]
Modified Mon Sep 30 19:36:20 2002 UTC (23 years, 1 month ago) by chuckv
Diff to previous 121 
*** empty log message ***
Revision 121 - Directory Listing - [select for diffs]
Modified Mon Sep 30 19:36:00 2002 UTC (23 years, 1 month ago) by chuckv
Diff to previous 120 
Initial mpi support
Revision 120 - Directory Listing - [select for diffs]
Modified Thu Sep 26 21:36:19 2002 UTC (23 years, 1 month ago) by chuckv
Diff to previous 119 
Addition of mpiInterface to code base.
Revision 119 - Directory Listing - [select for diffs]
Modified Thu Sep 26 21:34:35 2002 UTC (23 years, 1 month ago) by chuckv
Diff to previous 118 
First stab at passing base events to mpi....
Revision 118 - Directory Listing - [select for diffs]
Modified Wed Sep 25 22:51:14 2002 UTC (23 years, 1 month ago) by chuckv
Diff to previous 117 
begin the pain that is MPI.

abandon all hope ye who check out this branch..

P.S. we've added consistent BASS error checking
Revision 117 - Directory Listing - [select for diffs]
Modified Tue Sep 24 22:10:55 2002 UTC (23 years, 1 month ago) by mmeineke
Diff to previous 114 
fixed allot of warnings, and adde the molecule
Revision 114 - Directory Listing - [select for diffs]
Modified Mon Sep 23 15:13:10 2002 UTC (23 years, 1 month ago) by mmeineke
Diff to previous 113 
starting work on the molecule class

starting to add in the molecule class


adding in the molecule class
Revision 113 - Directory Listing - [select for diffs]
Modified Mon Sep 23 15:12:56 2002 UTC (23 years, 1 month ago) by mmeineke
Diff to previous 112 
starting work on the molecule class

starting to add in the molecule class
Revision 112 - Directory Listing - [select for diffs]
Modified Mon Sep 23 15:12:42 2002 UTC (23 years, 1 month ago) by mmeineke
Diff to previous 31 
starting work on the molecule class
Revision 31 - Directory Listing - [select for diffs]
Modified Tue Jul 16 21:38:22 2002 UTC (23 years, 3 months ago) by mmeineke
Diff to previous 30 
fixed a bug in getA( double the_A[3][3] );
Revision 30 - Directory Listing - [select for diffs]
Modified Tue Jul 16 21:10:49 2002 UTC (23 years, 3 months ago) by mmeineke
Diff to previous 25 
added the getA( double the_A[3][3] ) routine to the Directional Atom Class, to facilitate easier RotMat aquisition
Revision 25 - Directory Listing - [select for diffs]
Modified Tue Jul 9 21:46:32 2002 UTC (23 years, 3 months ago) by mmeineke
Diff to previous 11 
fixed a precision error in the calculation of the temperature.
Also fixed the order that dump file are written.
Revision 11 - Directory Listing - [select for diffs]
Added Tue Jul 9 18:40:59 2002 UTC (23 years, 3 months ago) by mmeineke 
This commit was generated by cvs2svn to compensate for changes in r10, which
included commits to RCS files with non-trunk default branches.

Convenience Links