|
|
bfcab685ce
|
add reference outputs to example input
|
2019-10-15 17:28:35 +02:00 |
|
|
|
9c5c33e869
|
Updated gjf examples
|
2019-10-14 14:39:45 -07:00 |
|
|
|
a948a34f8a
|
added false positive, removed graphs from examples, updated langevin kokkos, improved diff readability in langevin
|
2019-09-12 16:34:15 -07:00 |
|
|
|
7aab3797b3
|
Updated MD results readme
|
2019-09-10 17:14:44 -07:00 |
|
|
|
90296b76e3
|
Added a readme to the md results folder
|
2019-09-10 17:11:49 -07:00 |
|
|
|
e34b7840d5
|
Updated documentation and added MD results
|
2019-09-10 15:53:32 -07:00 |
|
|
|
cc96ea1ded
|
added respa compatability, and simplified examples
|
2019-07-25 15:23:01 -07:00 |
|
|
|
13f4fe186b
|
Updated examples/gjf/README.md
|
2019-07-24 16:30:02 -07:00 |
|
|
|
b97e856bf2
|
Tally works and example readmes addes
|
2019-07-24 16:21:49 -07:00 |
|
|
|
f4da632870
|
recent change to gjf tally (not working)
|
2019-07-24 16:21:49 -07:00 |
|
|
|
4a80edd75f
|
updated fix_langevin and made example
|
2019-07-24 16:21:48 -07:00 |
|
