536e34974a
Merge branch 'soft_class2_potentials' of https://github.com/evoyiatzis/lammps into combined-user-fep-soft-updates
2019-01-24 15:33:30 +01:00
60b137f241
Add examples for the USER-YAFF package
2019-01-22 10:09:10 +01:00
1dbdadcf89
Add files via upload
2019-01-14 09:53:10 +01:00
7a4b6526de
Create in.deletion
2019-01-14 09:52:28 +01:00
16b8c94aae
Add files via upload
2019-01-14 09:49:37 +01:00
62b4c69360
Create in.insertion
2019-01-14 09:48:40 +01:00
261122d59c
Update README
2019-01-14 09:43:13 +01:00
7323179de3
rename pair style lebedeva to lebedeva/z to be consistent with kolmolgorov/crespi/z
2019-01-03 17:30:16 -05:00
0a610cb482
Merge branch 'sllod' into collected-post-stable-patches
2018-12-12 00:14:33 -05:00
b6b813459b
update example logfiles for USER-DRUDE package
2018-12-10 11:04:52 -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
55077cea4d
Merge branch 'lebedeva2' of https://github.com/zbych127/lammps into collected-post-stable-patches
2018-12-03 15:24:31 -05:00
01f47c4450
fixed the input for the example
2018-11-29 20:06:36 -05:00
4d06e11cfd
creating clean fix npt/cauchy package and docs
2018-11-29 19:55:31 -05:00
2d0d08093b
Another attempt to add Lebedeva potential
2018-11-28 09:33:44 +01:00
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
d1ff90eacf
copy and rename fix_nh.cpp/.h to USER-CAUCHY/fix_cauchy.cpp/.h related changes
...
this moves the code into the corresponding folders, renames the classes, adds copies of the doc files, moves the examples, integrates the USER-CAUCHY package into the build system.
2018-11-13 17:18:37 -05:00
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
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
44fcdc4024
update reference examples with versions that do not vary by MPI rank count
2018-09-06 21:20:47 -04:00
947f574503
Merge branch 'master' into compute_mop
...
# Conflicts:
# cmake/CMakeLists.txt
2018-09-06 21:13:42 -04:00
0c92c22755
moved contents of USER-MOP package to USER-MISC as suggested by @sjplimp
2018-09-05 10:56:12 -04:00
d3d16882ca
remove note for Rene
2018-09-05 08:12:19 -06:00
ff2e13e063
Merge branch 'master' into ScaFaCoS
2018-09-04 21:35:46 -04:00
cb4ffaf95c
update docs and references for name changes in USER-MOP package, remove obsoleted files
2018-09-04 08:42:32 -04:00
a797a0d193
changed computes names to stress/mop and stress/mop/profile
2018-09-04 14:02:19 +02:00
f6f4b58167
add parallel reference output
2018-09-03 23:42:52 -04:00
7b423c6d4b
integrate USER-MOP package into build and documentat system. apply latest LAMMPS programming style conventions
2018-09-03 23:37:25 -04:00
9e03bf7db9
make USER-DIFFRACTION input example fully consistent with output and remove additional input file
2018-09-01 19:12:46 -04:00
c23534019c
fixed typo in example file name
2018-08-21 17:28:42 -06:00
e08aaa7e39
added examples for P3M with ScaFaCoS
2018-08-08 15:03:47 -06:00
2a5e550bda
updated log files
2018-08-08 15:02:19 -06:00
7f5476b408
removed deprecated log files (will be replaced with more current ones)
2018-08-08 14:04:41 -06:00
cdde51d8af
fixed example so that P3M also works, changed tolerance type in the FMM example
2018-08-07 14:29:04 -06:00
