[ViewVC] Log of: OpenMD/trunk/src/io/RestReader.cpp

Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
File length: 10389 byte(s)
Diff to previous 1360

Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)

Revision 1360 - (view) (annotate) - [selected]
Modified Mon Sep 7 16:31:51 2009 UTC (15 years, 7 months ago) by cli2
File length: 10381 byte(s)
Diff to previous 1241

Added new restraint infrastructure
Added MolecularRestraints
Added ObjectRestraints
Added RestraintStamp
Updated thermodynamic integration to use ObjectRestraints
Added Quaternion mathematics for twist swing decompositions
Significantly updated RestWriter and RestReader to use dump-like files
Added selections for x, y, and z coordinates of atoms
Removed monolithic Restraints class
Fixed a few bugs in gradients of Euler angles in DirectionalAtom and RigidBody
Added some rotational capabilities to prinicpalAxisCalculator

Revision 1241 - (view) (annotate) - [select for diffs]
Modified Fri Apr 25 15:14:47 2008 UTC (17 years ago) by gezelter
File length: 24573 byte(s)
Diff to previous 1030 , to selected 1360

A bunch of minor changes to make MPI compilation faster than
the double compilation we do now...

Revision 1030 - (view) (annotate) - [select for diffs]
Modified Fri Sep 1 14:15:05 2006 UTC (18 years, 8 months ago) by chrisfen
File length: 24567 byte(s)
Diff to previous 996 , to selected 1360

fixed TI MPI bug

Revision 996 - (view) (annotate) - [select for diffs]
Modified Wed Jun 28 14:35:14 2006 UTC (18 years, 10 months ago) by chrisfen
File length: 24540 byte(s)
Diff to previous 990 , to selected 1360

more efficient file reading for thermodynamic integration, and fixed some formatting

Revision 990 - (view) (annotate) - [select for diffs]
Modified Mon Jun 19 01:36:06 2006 UTC (18 years, 10 months ago) by chrisfen
File length: 26704 byte(s)
Diff to previous 985 , to selected 1360

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

Revision 985 - (view) (annotate) - [select for diffs]
Modified Wed Jun 7 18:05:19 2006 UTC (18 years, 10 months ago) by chrisfen
File length: 25930 byte(s)
Diff to previous 963 , to selected 1360

Fixed a spelling error and a bug in MPI Thermodynamic Integration on file read-in

Revision 963 - (view) (annotate) - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (18 years, 11 months ago) by tim
File length: 25935 byte(s)
Diff to previous 507 , to selected 1360

Adding single precision capabilities to c++ side

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 25909 byte(s)
Diff to previous 431 , to selected 1360

xemacs has been drafted to perform our indentation services

Revision 431 - (view) (annotate) - [select for diffs]
Modified Fri Mar 11 00:43:19 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 25935 byte(s)
Diff to previous 423 , to selected 1360

fixed a bug in MPI restraints

Revision 423 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 19:11:02 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 25981 byte(s)
Diff to previous 417 , to selected 1360

Oops...  MPI now builds...

Revision 417 - (view) (annotate) - [select for diffs]
Added Thu Mar 10 15:10:24 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 26064 byte(s)
Diff to selected 1360

First commit of the new restraints code

Convenience Links

Links to HEAD: (view) (annotate)

Compare Revisions

This form allows you to request diffs between any two revisions of this file. For each of the two "sides" of the diff, enter a numeric revision.

	Diffs between and
	Type of Diff should be a