Massive changes preparing for release of OOPSE-4: The main difference is that the new MD file format (.md, .dump, .eor) now contains meta-data information along with the configuration information.
Adding single precision capabilities to c++ side
Adding spherical boundary conditions to LD integrator
instead of printing to std::cout, throwing an exception when error is found.
In order to compile MPI version, we need to cast const char* to void* for stringstream.str(); Previous Makefile use bjects of single version to make the MPI library;
Fixed issue with symbol naming and added call to set force options in SimCreator.
the standard library came with SUN compiler does not have a conforming std::use_facet, define a macro to handle it. Adding exception handling to SimCreator.
End of the Link --> List Return of the Oject-Oriented replace yacc/lex parser with antlr parser
OptionSectionParser get compiled
rewrite Globals
Shapes is limping along with a array bounds overwrite (I think...). At least the parser loads the forcefield fine...
more memory leak are fixed
fix a typo in MultipoleAtomTypesSectionParser
First commit of the new restraints code
Using OOPSE_itoa and checking a NULL left over from the LinkedList days
SPRNG eradication project
info_ in Velocitizer is not initialized which causes a seg fault
remove default parameter from MersenneTwister.hpp which causes all kinds of trouble. Refactory random number generator
replace SPRNG by MTRand
adding OOPSERandNumGen
adding MersenneTwister random number generator
fix a bug in determing the global index for rigidbodies
remove some useless files
(1) complete section parser's error message (2) add GhostTorsion (3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor
merging new_design branch into OOPSE-2.0
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