File
|
Last Change |
|---|---|
 ../
|
|
MPIobj/
|
41 (20 years ago) by gezelter: Cleaning up a bit |
|
ac-tools/
|
1620 (13 years ago) by gezelter: qhull fixes |
|
doc/
|
1396 (15 years ago) by gezelter: Merging changes skipped in working copies of OOPSE into the OpenMD tree, fixing make install |
|
forceFields/
|
1691 (13 years ago) by gezelter: Modified lines for new GayBerneAtomTypes section parser |
|
lib/
|
11 (20 years ago) by gezelter: Keep that lib around, please. |
|
make/
|
1526 (14 years ago) by kstocke1: Completed SMIPD to Langevin Hull integrator name change |
|
obj/
|
41 (20 years ago) by gezelter: Cleaning up a bit |
|
samples/
|
1527 (14 years ago) by gezelter: cleaned up some cruft from the md files, got rid of thiols |
|
scripts/
|
1397 (15 years ago) by gezelter: more changes to fix build process and divorce ourselves from CVS |
|
src/
|
1689 (13 years ago) by gezelter: Bug fixes for GB. Now using strength parameter mixing ideas from Wu et al. [J. Chem. Phys. 135, 155104 (2011)]. This helps get the dissimilar particle mixing behavior to be the same whichever order the two particles come in. This does require that the force field file to specify explicitly the values for epsilon in the cross (X), side-by-side (S), and end-to-end (E) configurations. |
|
test/
|
1390 (15 years ago) by gezelter: Almost all of the changes necessary to create OpenMD out of our old project (OOPSE-4) |
AUTHORS
|
1406 (15 years ago) by gezelter: updating various dates and version numbers for 1.0.1 release |
|
LICENSE
|
1406 (15 years ago) by gezelter: updating various dates and version numbers for 1.0.1 release |
|
Makefile
|
1397 (15 years ago) by gezelter: more changes to fix build process and divorce ourselves from CVS |
|
README
|
1394 (15 years ago) by gezelter: Testing commits |
|
configure
|
1621 (13 years ago) by gezelter: qhull fixes |