dding resetIntegrator
adding resetIntegrator
Fix to print pressure tensor.
adding keyword printPressureTensor
NPrT in progress
NPrT in progress
NPAT is working
fix bug in NPAT and NPrT
adding NPAT and NPrT integrators
xemacs has been drafted to perform our indentation services
minor change to TI output
VelocityVerletIntegrator already deletes and Nullifies restWriter, so Integrator shouldn't do it.
First commit of the new restraints code
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
fix compilation problem for g++ 3.4
adding OOPSERandNumGen
adding MersenneTwister random number generator
adding basic_teebuf which can operate on multiple stream simutaneously.
fix a bug in VelocityVerletIntegrator : last frame is written twice
maximum length defaults to the cutoff radius
dynamicProps get built
forget to add eorWriter
(1) complete section parser's error message (2) add GhostTorsion (3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor
fix a bug in loading initial extended system parameters
forget to set maxIterNum_ in NVT
moved Package variable into subdirectory makefiles to speed up the building process
merging new_design branch into OOPSE-2.0
improved restraints
Improvements to restraints
Commented out some write statements
Don't remember what I did
replace old GebericData with new GenericData
change #include "mpi.h" to #include <mpi.h> in AbstractClasses.hpp
define DEV_ROOT as relative path
change Makefile to relative path
*** empty log message ***
change the #include in source files
Import of OOPSE v. 2.0