[ViewVC] Log of: group/trunk/OOPSE-4/src/io/RestReader.cpp

Revision 3520 - (view) (annotate) - [select for diffs]
Modified Mon Sep 7 16:31:51 2009 UTC (15 years, 7 months ago) by cli2
File length: 10381 byte(s)
Diff to previous 3388

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 3388 - (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 2992

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

Revision 2992 - (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 2903

fixed TI MPI bug

Revision 2903 - (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 2868

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

Revision 2868 - (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 2814

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

Revision 2814 - (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 2759

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

Revision 2759 - (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 2204

Adding single precision capabilities to c++ side

Revision 2204 - (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 2115

xemacs has been drafted to perform our indentation services

Revision 2115 - (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 2107

fixed a bug in MPI restraints

Revision 2107 - (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 2101

Oops...  MPI now builds...

Revision 2101 - (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)

First commit of the new restraints code

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