 ../
|
MPIobj/
|
41
(20 years ago)
by gezelter:
Cleaning up a bit
|
|
ac-tools/
|
1210
(17 years ago)
by gezelter:
Removed older version of openbabel from our code. We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need. Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.
|
|
doc/
|
1179
(17 years ago)
by gezelter:
Updated docs to version 4
|
|
forceFields/
|
1210
(17 years ago)
by gezelter:
Removed older version of openbabel from our code. We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need. Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.
|
|
lib/
|
11
(20 years ago)
by gezelter:
Keep that lib around, please.
|
|
make/
|
1210
(17 years ago)
by gezelter:
Removed older version of openbabel from our code. We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need. Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.
|
|
obj/
|
41
(20 years ago)
by gezelter:
Cleaning up a bit
|
|
samples/
|
1195
(17 years ago)
by cpuglis:
Many fixes for Charmm-type torsions.
|
|
scripts/
|
502
(20 years ago)
by gezelter:
configure now searches for perl to use with filepp
|
|
src/
|
1210
(17 years ago)
by gezelter:
Removed older version of openbabel from our code. We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need. Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.
|
|
test/
|
614
(19 years ago)
by tim:
adding testcase for zipstream
|
AUTHORS
|
1055
(18 years ago)
by gezelter:
Starting cleanup for 4.0 release
|
|
ChangeLog
|
1131
(18 years ago)
by chrisfen:
fixed a bug where the pressure tensor wouldn't update for atoms in the switching region when # of atoms in a group = 1
|
|
LICENSE
|
861
(19 years ago)
by gezelter:
fixed some version info and the copyright date
|
|
Makefile
|
1166
(17 years ago)
by gezelter:
Install process should add some basic text documents
|
|
README
|
1055
(18 years ago)
by gezelter:
Starting cleanup for 4.0 release
|
|
configure
|
1210
(17 years ago)
by gezelter:
Removed older version of openbabel from our code. We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need. Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.
|
