Commit Graph

976 Commits

Author SHA1 Message Date
bbe863f1ac add input for controlling a wall for a slab 2018-12-11 05:43:19 -05:00
eeaeab0832 add example for using fix controller with a moving wall to adjust pressure 2018-12-11 05:31:12 -05:00
998a512143 update log files for USER-UEF 2018-12-07 10:19:34 -05:00
e61b553bb3 update USER-MOFF log files 2018-12-07 05:54:02 -05:00
20eca799b1 update log files for USER-DIFFRACTION package 2018-12-07 05:50:39 -05:00
8ce60d8761 update USER-CGSDK and USER-COLVARS log files 2018-12-07 05:03:26 -05:00
685a8bfc62 update or add logs for USER-AWPMD, USER-BOCS, and USER-CGDNA 2018-12-07 04:32:46 -05:00
cd0924ca4c add log files for USER-AWPMD examples 2018-12-07 03:49:46 -05:00
18f7e96e8a update log files for USER-PLUMED examples 2018-12-06 19:07:36 -05:00
e01ba84fd2 update log files for USER-SCAFACOS 2018-12-06 19:01:20 -05:00
5d2730f055 update log files for rigid, shear, snap, srd, streitz, threebody, vashsista, and voronoi examples 2018-11-29 18:22:18 -05:00
4b8c6d40e2 update log files for qeq and rdf-adf examples 2018-11-29 15:15:14 -05:00
46bf4b7efb update log files for peptide, peri, pour and python examples 2018-11-29 14:51:25 -05:00
cef4164460 update log files for min, msst, nb3b, nemd, and obstacle examples 2018-11-29 14:13:11 -05:00
074a9663cb update log files for melt and micelle example 2018-11-29 14:05:28 -05:00
d67dad9d67 update log files for meam examples 2018-11-29 12:47:15 -05:00
41e24f6e8b update log files for gcmc example 2018-11-29 12:35:07 -05:00
c763916f9e update log files for granregion hugoniostat and indent examples 2018-11-28 21:21:54 -05:00
48a408bb19 update log files for friction example 2018-11-28 18:42:48 -05:00
8e07aaf005 update log files for ellipse and flow examples 2018-11-28 16:16:19 -05:00
4a8f1a7a08 update log files for eim example 2018-11-28 16:11:15 -05:00
37289f7476 update log files for dipole and dreiding example inputs. add running some MD steps for dreiding 2018-11-28 16:07:12 -05:00
3ce61c42d6 update log files for crack and deposit examples 2018-11-28 16:01:42 -05:00
98c8f22046 update log files for coreshell examples 2018-11-28 15:56:58 -05:00
296cab0b09 update log files for controller example 2018-11-28 15:40:14 -05:00
ab924e4f1d update log files for comb examples 2018-11-28 15:38:11 -05:00
852916983a update logs for colloid example 2018-11-28 14:53:29 -05:00
d0a83e9e12 update cmap example logfiles 2018-11-28 14:51:19 -05:00
2ed90c1669 update log files for body examples 2018-11-28 14:46:47 -05:00
c428088554 update logfiles for balance examples 2018-11-28 14:40:20 -05:00
77e7362168 update log files for airebo and atm examples 2018-11-28 14:28:20 -05:00
a91d89b516 avoid array overflows and silence compiler warnings from unused parameters 2018-11-21 09:24:10 -05:00
9f960baa4f restore USER-ATM package data files taken from CVS repo 2018-11-20 09:17:02 -05:00
a7bfb30043 update atc/cauchy_born examples with missing files 2018-11-16 23:03:47 -05:00
5062c43aea rename example outputs 2018-11-12 12:32:53 -07:00
3b7ebbb8df new hyper examples 2018-11-12 12:32:53 -07:00
d7a479d2f6 hyper example dir 2018-11-12 12:32:52 -07:00
e0955f6434 Merge branch 'master' into sdpd to resolve merge conflicts
# Conflicts:
#	cmake/CMakeLists.txt
#	src/Makefile
2018-11-08 16:32:02 -05:00
a6e9b99295 Merge pull request #1180 from gtribello/master
Add natively supported PLUMED interface to LAMMPS
2018-11-08 16:16:50 -05:00
a37d718ed1 update bond/react examples 2018-11-03 12:01:00 -06:00
badfdd7433 download only the plumed-src package and include further tweaks to be compatible with plumed 2.5b 2018-11-03 00:21:10 -04:00
ac11d66d5a provide reference logfiles and move generated files to reference folder 2018-11-02 23:28:09 -04:00
ba6f6f73f1 first commit: added SDPD 2018-10-30 17:40:00 +03:30
ff9f836be4 Merge remote-tracking branch 'upstream/master' 2018-10-26 22:01:05 +01:00
1d38f2d725 Merge pull request #1165 from akohlmey/refactor-kspace-base-class
Refactor kspace base class to have a settings() method
2018-10-23 10:35:12 -04:00
76a2a9ab0a Fixed normalization error for ordinate degree 2018-10-20 17:16:47 -06:00
8223f5e0a3 Eliminated another initialization error and tweaked rdf-adf example 2018-10-20 16:46:45 -06:00
2140caa6f5 add an example for RDF and ADF computation with water molecules 2018-10-20 08:12:02 -04:00
da84138475 correct scafacos input example 2018-10-19 15:31:53 -04:00
5a6226caa5 jive src headers with doc page entries and example scripts 2018-09-25 10:50:43 -06:00