[ViewVC] Log of: OpenMD/trunk/src/mdParser/MDLexer.cpp

Revision 2046 - (view) (annotate) - [select for diffs]
Modified Tue Dec 2 22:11:04 2014 UTC (10 years, 4 months ago) by gezelter
File length: 51566 byte(s)
Diff to previous 2040

Fixed some broken comments for use with Doxygen.
Made changes to allow topology-based force-field overrides in include files.
Fixed a calculation of box quadrupole moments for molecules with point dipoles.

Revision 2040 - (view) (annotate) - [select for diffs]
Modified Thu Nov 13 17:49:44 2014 UTC (10 years, 5 months ago) by gezelter
File length: 50846 byte(s)
Diff to previous 2026

Added a vcorr2spectrum script to simplify the task of computing spectra

Revision 2026 - (view) (annotate) - [select for diffs]
Modified Wed Oct 22 12:23:59 2014 UTC (10 years, 6 months ago) by gezelter
File length: 50846 byte(s)
Diff to previous 1979

Starting to add support for UniformGradient. 
Changed Vector3d input type to a more general std::vector<RealType> input.  This change alters RNEMD and UniformField inputs.

Revision 1979 - (view) (annotate) - [select for diffs]
Modified Sat Apr 5 20:56:01 2014 UTC (11 years ago) by gezelter
File length: 50846 byte(s)
Diff to previous 1969

* Changed the stdDev printouts in RNEMD stats to the 95% confidence intervals
* Added the ability to specify non-bonded constraints in a molecule
* Added the ability to do selection offsets in the pAngle staticProps module

Revision 1969 - (view) (annotate) - [select for diffs]
Modified Wed Feb 26 14:14:50 2014 UTC (11 years, 2 months ago) by gezelter
File length: 50772 byte(s)
Diff to previous 1902

Fixes to deal with deprecation of MPI C++ bindings.  We've reverted back to the
C calls.

Revision 1902 - (view) (annotate) - [select for diffs]
Modified Tue Jul 16 17:16:45 2013 UTC (11 years, 9 months ago) by gezelter
File length: 50770 byte(s)
Diff to previous 1782

Added a satellites keyword to the inversion block.

Revision 1782 - (view) (annotate) - [select for diffs]
Modified Wed Aug 22 02:28:28 2012 UTC (12 years, 8 months ago) by gezelter
File length: 50726 byte(s)
Diff to previous 1558

MERGE OpenMD development branch 1465:1781 into trunk

Revision 1558 - (view) (annotate) - [select for diffs]
Modified Wed May 11 16:32:48 2011 UTC (13 years, 11 months ago) by gezelter
File length: 50589 byte(s)
Diff to previous 1442

Updated antlr, some minor formatting changes

Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (14 years, 11 months ago) by gezelter
File length: 50589 byte(s)
Diff to previous 1390

Adding property set to svn entries

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: 50589 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) - [select for diffs]
Modified Mon Sep 7 16:31:51 2009 UTC (15 years, 7 months ago) by cli2
File length: 50588 byte(s)
Diff to previous 1277

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 1277 - (view) (annotate) - [select for diffs]
Modified Mon Jul 14 12:35:58 2008 UTC (16 years, 9 months ago) by gezelter
File length: 50536 byte(s)
Diff to previous 1275

Changes for implementing Amber force field:  Added Inversions and
worked on BaseAtomTypes so that they'd function with the fortran side.

Revision 1275 - (view) (annotate) - [select for diffs]
Modified Fri Jul 4 20:54:29 2008 UTC (16 years, 9 months ago) by cli2
File length: 47135 byte(s)
Diff to previous 814

Changes required for Inversions and Base Atom types.  This will
break OOPSE badly for a few days or so...

Revision 814 - (view) (annotate) - [select for diffs]
Modified Fri Dec 16 02:57:00 2005 UTC (19 years, 4 months ago) by tim
File length: 50116 byte(s)
Diff to previous 810

replace grammar for numerical parsing

Revision 810 - (view) (annotate) - [select for diffs]
Modified Wed Dec 14 18:02:28 2005 UTC (19 years, 4 months ago) by tim
File length: 48999 byte(s)
Diff to previous 770

fix a nasty negative integer parsing problem by refining the grammar

Revision 770 - (view) (annotate) - [select for diffs]
Added Fri Dec 2 15:38:03 2005 UTC (19 years, 5 months ago) by tim
File length: 49653 byte(s)

End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser

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