11 Commits

Author	SHA1	Message	Date
Axel Kohlmeyer	bfcab685ce	add reference outputs to example input	2019-10-15 17:28:35 +02:00
charlie sievers	9c5c33e869	Updated gjf examples	2019-10-14 14:39:45 -07:00
charlie sievers	a948a34f8a	added false positive, removed graphs from examples, updated langevin kokkos, improved diff readability in langevin	2019-09-12 16:34:15 -07:00
charlie sievers	7aab3797b3	Updated MD results readme	2019-09-10 17:14:44 -07:00
charlie sievers	90296b76e3	Added a readme to the md results folder	2019-09-10 17:11:49 -07:00
charlie sievers	e34b7840d5	Updated documentation and added MD results	2019-09-10 15:53:32 -07:00
casievers	cc96ea1ded	added respa compatability, and simplified examples	2019-07-25 15:23:01 -07:00
casievers	13f4fe186b	Updated examples/gjf/README.md	2019-07-24 16:30:02 -07:00
casievers	b97e856bf2	Tally works and example readmes addes	2019-07-24 16:21:49 -07:00
casievers	f4da632870	recent change to gjf tally (not working)	2019-07-24 16:21:49 -07:00
casievers	4a80edd75f	updated fix_langevin and made example	2019-07-24 16:21:48 -07:00