File
|
Last Change |
|---|---|
 ../
|
|
Madelung/
|
1342 (16 years ago) by gezelter: Adding Madelung energy sample directory with explanatory notes |
|
RNEMD/
|
1353 (16 years ago) by gezelter: Adding one RNEMD sample |
|
SMIPD/
|
1359 (15 years ago) by chuckv: Relaxed structure at low T to be not so high up on the PE wall. |
|
alkane/
|
1146 (18 years ago) by chuckv: Fixed Makefile problems with the samples and added several missing makefiles. |
|
argon/
|
1289 (16 years ago) by cli2: Fixes for Torsions and Inversions, Amber is mostly working now. |
|
bond-order/
|
1146 (18 years ago) by chuckv: Fixed Makefile problems with the samples and added several missing makefiles. |
|
builders/
|
1083 (18 years ago) by gezelter: more openbabel updates, also changing velocitizer to thermalizer to avoid a filename collision on case-insensitve file systems |
|
cutoff/
|
1146 (18 years ago) by chuckv: Fixed Makefile problems with the samples and added several missing makefiles. |
|
dipole/
|
1146 (18 years ago) by chuckv: Fixed Makefile problems with the samples and added several missing makefiles. |
|
gbljtest/
|
1146 (18 years ago) by chuckv: Fixed Makefile problems with the samples and added several missing makefiles. |
|
lipid/
|
1146 (18 years ago) by chuckv: Fixed Makefile problems with the samples and added several missing makefiles. |
|
metals/
|
1293 (16 years ago) by chuckv: Added large quantities of code for convex hull and constant pressure langevin dynamics. |
|
minimizer/
|
1146 (18 years ago) by chuckv: Fixed Makefile problems with the samples and added several missing makefiles. |
|
thermoIntegration/
|
1146 (18 years ago) by chuckv: Fixed Makefile problems with the samples and added several missing makefiles. |
|
water/
|
1195 (17 years ago) by cpuglis: Many fixes for Charmm-type torsions. |
|
zcons/
|
1146 (18 years ago) by chuckv: Fixed Makefile problems with the samples and added several missing makefiles. |
|
zeolite/
|
1315 (16 years ago) by gezelter: doing zeolite sample |