Fixed a bunch of cppcheck warnings.

Revision 1870 - Directory Listing - [select for diffs]
Modified Tue May 7 19:09:54 2013 UTC (12 years, 2 months ago) by gezelter
Diff to previous 1850 , to selected 1874

Chasing down bugs in the TIP4P_FQ model.

Fixed a widespread typo in the license 

Revision 1826 - Directory Listing - [select for diffs]
Modified Wed Jan 9 19:41:48 2013 UTC (12 years, 6 months ago) by gezelter
Diff to previous 1768 , to selected 1874

Cleaning more cruft and unused variables.

Fixed a bug in the FluctuatingChargeLangevin propagator, updated some samples.

Revision 1767 - Directory Listing - [select for diffs]
Modified Fri Jul 6 22:01:58 2012 UTC (13 years ago) by gezelter
Diff to previous 1766 , to selected 1874

Various fixes required to compile OpenMD with the MS Visual C++ compiler

Added Fluctuating Charge Langevin propagator, and made it the default
fixed some errors on the one-center slater coulomb integrals, and some
parameters in PhysicalConstants.

Revision 1764 - Directory Listing - [select for diffs]
Modified Tue Jul 3 18:32:27 2012 UTC (13 years, 1 month ago) by gezelter
Diff to previous 1761 , to selected 1874

Refactored Snapshot and Stats to use the Accumulator classes.  Collected
a number of methods into Thermo that belonged there.

fixes for fluctuating charges

Revision 1760 - Directory Listing - [select for diffs]
Modified Thu Jun 21 19:26:46 2012 UTC (13 years, 1 month ago) by gezelter
Diff to previous 1756 , to selected 1874

Some bugfixes (CholeskyDecomposition), more work on fluctuating charges,
migrating stats stuff into frameData

bugfixes for self interactions (particularly in parallel)

Revision 1754 - Directory Listing - [select for diffs]
Modified Wed Jun 13 14:45:59 2012 UTC (13 years, 1 month ago) by jmichalk
Diff to previous 1748 , to selected 1874

Removed a line in Integrator.cpp where the forceMan_ was being initialized too early. Additionally, added a dummy value for rCut_ in ForceManager.cpp::setupCutoffs. JRM

fixing some bugs, adding Shake

Revision 1740 - Directory Listing - [select for diffs]
Modified Tue Jun 5 18:01:50 2012 UTC (13 years, 1 month ago) by gezelter
Diff to previous 1739 , to selected 1874

Adding the Flucq constraints and objective function for minimization

Moved the propagators for flucq

Revision 1735 - Directory Listing - [select for diffs]
Modified Tue Jun 5 17:50:53 2012 UTC (13 years, 1 month ago) by jmichalk
Diff to previous 1731 , to selected 1874

Moved FluctuatingChargeNVT to the flucq directory

Reorganized source directories, added RNEMD and flucQ blocks for
options parsing.