ViewVC Help
View Directory | Revision Log | View Changeset | Root Listing
root/group/trunk/OOPSE/libmdtools
r718
File (rev) Last Change
 ../
obj/ 400 (21 years ago) by mmeineke: *** empty log message ***
MPIobj/ 400 (21 years ago) by mmeineke: *** empty log message ***
wrappers.F90 657 (21 years ago) by chuckv: More bug fixes for eam.
vector_class.F90 378 (21 years ago) by mmeineke: This commit was generated by cvs2svn to compensate for changes in r377, which included commits to RCS files with non-trunk default branches.
status_module.F90 648 (21 years ago) by chuckv: Finished most code for eam....
simulation_module.F90 648 (21 years ago) by chuckv: Finished most code for eam....
randomSPRNG.hpp 450 (21 years ago) by mmeineke: just little things like deleteing unused variables and such.
randomSPRNG.cpp 378 (21 years ago) by mmeineke: This commit was generated by cvs2svn to compensate for changes in r377, which included commits to RCS files with non-trunk default branches.
notifyCutoffs.F90 669 (21 years ago) by chuckv: Bug fixes for eam...
neighborLists.F90 673 (21 years ago) by chuckv: EAM works...... Neighbor list also works.....
mpiSimulation_module.F90 694 (21 years ago) by chuckv: Added some profiling code -DPROFILE.
mpiSimulation.hpp 422 (21 years ago) by mmeineke: finished updating SimSetup to initialize and use the new MPI division of labour, and Molecule class
mpiSimulation.cpp 708 (21 years ago) by tim: user can setup seed in bass file now, if he does not specify any value for seed, oopse will take the value of seconds of system time as seed
mpiForceField.h 378 (21 years ago) by mmeineke: This commit was generated by cvs2svn to compensate for changes in r377, which included commits to RCS files with non-trunk default branches.
mpiForceField.c 378 (21 years ago) by mmeineke: This commit was generated by cvs2svn to compensate for changes in r377, which included commits to RCS files with non-trunk default branches.
mpiComponentPlan.h 405 (21 years ago) by gezelter: MPI stuff for passing out molecules
fortranWrappers.hpp 631 (21 years ago) by chuckv: Added massive changes for eam....
fortranWrappers.cpp 631 (21 years ago) by chuckv: Added massive changes for eam....
fortranWrapDefines.hpp 635 (21 years ago) by gezelter: Changes for SSD/E
force_globals.F90 648 (21 years ago) by chuckv: Finished most code for eam....
forceFactory.hpp 378 (21 years ago) by mmeineke: This commit was generated by cvs2svn to compensate for changes in r377, which included commits to RCS files with non-trunk default branches.
fSimulation.h 626 (21 years ago) by mmeineke: Changed how cutoffs were handled from C. Now notifyCutoffs in Fortran notifies those who need the information of any changes to cutoffs.
fInfo.c 632 (21 years ago) by chuckv: added info module
fForceField.h 378 (21 years ago) by mmeineke: This commit was generated by cvs2svn to compensate for changes in r377, which included commits to RCS files with non-trunk default branches.
do_Forces.F90 694 (21 years ago) by chuckv: Added some profiling code -DPROFILE.
calc_sticky_pair.F90 636 (21 years ago) by gezelter: Fixes for SSD/E
calc_reaction_field.F90 626 (21 years ago) by mmeineke: Changed how cutoffs were handled from C. Now notifyCutoffs in Fortran notifies those who need the information of any changes to cutoffs.
calc_gb.F90 611 (21 years ago) by gezelter: Fixing pressure tensor
calc_eam.F90 673 (21 years ago) by chuckv: EAM works...... Neighbor list also works.....
calc_dipole_dipole.F90 626 (21 years ago) by mmeineke: Changed how cutoffs were handled from C. Now notifyCutoffs in Fortran notifies those who need the information of any changes to cutoffs.
calc_LJ_FF.F90 626 (21 years ago) by mmeineke: Changed how cutoffs were handled from C. Now notifyCutoffs in Fortran notifies those who need the information of any changes to cutoffs.
atype_module.F90 633 (21 years ago) by chuckv: fixed spelling issue
ZConstraint.cpp 711 (21 years ago) by mmeineke: small bug fix on frequency of output dumps.
ZConsWriter.hpp 699 (21 years ago) by tim: Tested MPI version of Z-Constraint Method
ZConsWriter.cpp 702 (21 years ago) by tim: *** empty log message ***
TraPPE_ExFF.cpp 542 (21 years ago) by mmeineke: currently modifiying Symplectic to become the basic integrator.
TorsionExtensions.cpp 378 (21 years ago) by mmeineke: This commit was generated by cvs2svn to compensate for changes in r377, which included commits to RCS files with non-trunk default branches.
Torsion.cpp 670 (21 years ago) by mmeineke: switched SimInfo to use a system configuration from SimState rather than arrays from Atom
Thermo.hpp 614 (21 years ago) by mmeineke: fixed some bugs, Changed entry_plug to info where appropriate
Thermo.cpp 708 (21 years ago) by tim: user can setup seed in bass file now, if he does not specify any value for seed, oopse will take the value of seconds of system time as seed
StreamTokenizer.hpp 593 (21 years ago) by gezelter: Starting to worry about all the strtok() calls in our code
StreamTokenizer.cpp 593 (21 years ago) by gezelter: Starting to worry about all the strtok() calls in our code
StatWriter.cpp 484 (21 years ago) by gezelter: Added volume and enthalpy to status file
SimState.hpp 670 (21 years ago) by mmeineke: switched SimInfo to use a system configuration from SimState rather than arrays from Atom
SimState.cpp 707 (21 years ago) by mmeineke: updated the Changelog. added some bug fixes for setting the random number generator seed value. fixed a bug where ghostbend atom b was not being set. ( recent bug from SimState conversion)
SimSetup.hpp 682 (21 years ago) by tim: added harmonical potential to z-constraint method
SimSetup.cpp 708 (21 years ago) by tim: user can setup seed in bass file now, if he does not specify any value for seed, oopse will take the value of seconds of system time as seed
SimInfo.hpp 708 (21 years ago) by tim: user can setup seed in bass file now, if he does not specify any value for seed, oopse will take the value of seconds of system time as seed
SimInfo.cpp 699 (21 years ago) by tim: Tested MPI version of Z-Constraint Method
SRI.hpp 707 (21 years ago) by mmeineke: updated the Changelog. added some bug fixes for setting the random number generator seed value. fixed a bug where ghostbend atom b was not being set. ( recent bug from SimState conversion)
ReadWrite.hpp 657 (21 years ago) by chuckv: More bug fixes for eam.
NVT.cpp 658 (21 years ago) by tim: Added Z constraint.
NPTim.cpp 658 (21 years ago) by tim: Added Z constraint.
NPTi.cpp 658 (21 years ago) by tim: Added Z constraint.
NPTfm.cpp 658 (21 years ago) by tim: Added Z constraint.
NPTf.cpp 658 (21 years ago) by tim: Added Z constraint.
Molecule.hpp 658 (21 years ago) by tim: Added Z constraint.
Molecule.cpp 658 (21 years ago) by tim: Added Z constraint.
Makefile 718 (21 years ago) by gezelter: *** empty log message ***
Linux_ifc_machdep.F90 378 (21 years ago) by mmeineke: This commit was generated by cvs2svn to compensate for changes in r377, which included commits to RCS files with non-trunk default branches.
LJFF.cpp 631 (21 years ago) by chuckv: Added massive changes for eam....
Integrator.hpp 718 (21 years ago) by gezelter: *** empty log message ***
Integrator.cpp 711 (21 years ago) by mmeineke: small bug fix on frequency of output dumps.
InitializeFromFile.cpp 690 (21 years ago) by mmeineke: fixed a really annoying bug in Directional Atom, where mu was getting written to pseudorandom memory location.
GhostBend.cpp 707 (21 years ago) by mmeineke: updated the Changelog. added some bug fixes for setting the random number generator seed value. fixed a bug where ghostbend atom b was not being set. ( recent bug from SimState conversion)
GenericData.hpp 699 (21 years ago) by tim: Tested MPI version of Z-Constraint Method
GenericData.cpp 682 (21 years ago) by tim: added harmonical potential to z-constraint method
ForceFields.hpp 657 (21 years ago) by chuckv: More bug fixes for eam.
ForceFields.cpp 670 (21 years ago) by mmeineke: switched SimInfo to use a system configuration from SimState rather than arrays from Atom
Exclude.hpp 435 (21 years ago) by mmeineke: fixed a bug where the Excludes were not being created properly
Exclude.cpp 438 (21 years ago) by chuckv: Fixes in MPI force calc and in Trappe_Ex parsing.
EAM_FF.cpp 673 (21 years ago) by chuckv: EAM works...... Neighbor list also works.....
DumpWriter.cpp 670 (21 years ago) by mmeineke: switched SimInfo to use a system configuration from SimState rather than arrays from Atom
DumpReader.cpp 656 (21 years ago) by mmeineke: working on the props code
DirectionalAtom.cpp 690 (21 years ago) by mmeineke: fixed a really annoying bug in Directional Atom, where mu was getting written to pseudorandom memory location.
DipoleTestFF.cpp 378 (21 years ago) by mmeineke: This commit was generated by cvs2svn to compensate for changes in r377, which included commits to RCS files with non-trunk default branches.
DUFF.cpp 707 (21 years ago) by mmeineke: updated the Changelog. added some bug fixes for setting the random number generator seed value. fixed a bug where ghostbend atom b was not being set. ( recent bug from SimState conversion)
BondExtensions.cpp 597 (21 years ago) by mmeineke: found a bug. Unit vectors were not being updated
Bond.cpp 670 (21 years ago) by mmeineke: switched SimInfo to use a system configuration from SimState rather than arrays from Atom
BendExtensions.cpp 438 (21 years ago) by chuckv: Fixes in MPI force calc and in Trappe_Ex parsing.
Bend.cpp 670 (21 years ago) by mmeineke: switched SimInfo to use a system configuration from SimState rather than arrays from Atom
Atom.hpp 689 (21 years ago) by tim: debugging globals
Atom.cpp 707 (21 years ago) by mmeineke: updated the Changelog. added some bug fixes for setting the random number generator seed value. fixed a bug where ghostbend atom b was not being set. ( recent bug from SimState conversion)
AllIntegrator.hpp 658 (21 years ago) by tim: Added Z constraint.
AbstractClasses.hpp 645 (21 years ago) by tim: *** empty log message ***
2 directories and 83 files shown