Revision 929 - (view) (annotate) - [select for diffs]
Modified Tue Jan 13 15:46:49 2004 UTC (21 years, 3 months ago) by tim
File length: 2408 byte(s)
Diff to previous 837

 Merge the code of writeFinal and writeDump;
 Adding sortingIndex into DumpWriter;
 Fix a bug of writing last frame twice in integrator

add chi and eta to the comment line of dump file.

Revision 830 - (view) (annotate) - [select for diffs]
Modified Tue Oct 28 16:20:28 2003 UTC (21 years, 6 months ago) by gezelter
File length: 2276 byte(s)
Diff to previous 829

fixes for compatibility

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 804 - (view) (annotate) - [select for diffs]
Modified Thu Oct 16 19:16:24 2003 UTC (21 years, 6 months ago) by mmeineke
File length: 2303 byte(s)
Diff to previous 657

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.

More bug fixes for eam.

Revision 656 - (view) (annotate) - [select for diffs]
Modified Tue Jul 29 16:32:37 2003 UTC (21 years, 9 months ago) by mmeineke
File length: 1518 byte(s)
Diff to previous 647

working on the props code

added the scan function to the DumpReader. It should now save the start of each frame in a vector.

Revision 646 - (view) (annotate) - [select for diffs]
Modified Tue Jul 22 20:05:30 2003 UTC (21 years, 9 months ago) by mmeineke
File length: 1471 byte(s)
Diff to previous 644

making some changes to read dump files

Fixed a current time initialization bug in InitFromFile.

Revision 641 - (view) (annotate) - [select for diffs]
Modified Mon Jul 21 16:23:10 2003 UTC (21 years, 9 months ago) by mmeineke
File length: 1424 byte(s)
Diff to previous 637

fixed Initializefrom file to start the simulation from the time specified in the init file.

Started work on a DumpReader

Revision 586 - (view) (annotate) - [select for diffs]
Modified Wed Jul 9 22:14:06 2003 UTC (21 years, 9 months ago) by mmeineke
File length: 1038 byte(s)
Diff to previous 572

Bug fixing NPTi and NPTf. there is some error in the caclulation of HmatInverse.

fixed the bugs introduced by switching the periodic box to a matrix

Revision 378 - (view) (annotate) - [select for diffs]
Modified Fri Mar 21 17:42:12 2003 UTC (22 years, 1 month ago) by mmeineke
File length: 977 byte(s)
Copied from: branches/mmeineke/OOPSE/libmdtools/ReadWrite.hpp revision 377
Diff to previous 377

This commit was generated by cvs2svn to compensate for changes in r377,
which included commits to RCS files with non-trunk default branches.

New OOPSE Tree