Revision 362 - (view) (annotate) - [select for diffs]
Modified Tue Mar 18 21:25:45 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 2887 byte(s)
Diff to previous 359

shed implementation of the Fortran interfaces.

adding more to the interface

Revision 357 - (view) (annotate) - [select for diffs]
Modified Mon Mar 17 20:54:25 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 2622 byte(s)
Diff to previous 345

working on the fortran init ForceField interface.

deprecated the ssd forcefield in C++

Revision 321 - (view) (annotate) - [select for diffs]
Modified Wed Mar 12 15:12:24 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 3471 byte(s)
Diff to previous 308

added the force parameter files into the distribution

Added ghostBend into SimSetup. only need to add awareness to TraPPE_Ex

Revision 299 - (view) (annotate) - [select for diffs]
Modified Fri Mar 7 19:31:02 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 3365 byte(s)
Diff to previous 294

implemented the new fortran force interface

finished conversion of all function wrapping into fortranWrappers.cpp and .hpp respectively

Revision 291 - (view) (annotate) - [select for diffs]
Modified Wed Mar 5 20:35:54 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 4327 byte(s)
Diff to previous 290

overhauled TraPPE_Ex forcfield in C++

Made changes to lj_FF.cpp to pass stress tensor.

Revision 287 - (view) (annotate) - [select for diffs]
Modified Thu Feb 27 18:39:55 2003 UTC (21 years, 4 months ago) by mmeineke
File length: 3579 byte(s)
Diff to previous 270

fixed some changes to the Globals in libBASS

Added some files to the Makefile and added ssdFF++.cpp to the C++ side of things

added libmdCode and a couple help scripts