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7606529f03
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Merge pull request #1302 from akohlmey/combined-user-fep-soft-updates
Combined USER-FEP related updates
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2019-01-31 22:57:51 +01:00 |
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ccdfde4978
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Update example log file
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2019-01-30 15:16:35 +01:00 |
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536e34974a
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Merge branch 'soft_class2_potentials' of https://github.com/evoyiatzis/lammps into combined-user-fep-soft-updates
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2019-01-24 15:33:30 +01:00 |
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60b137f241
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Add examples for the USER-YAFF package
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2019-01-22 10:09:10 +01:00 |
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1dbdadcf89
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Add files via upload
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2019-01-14 09:53:10 +01:00 |
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7a4b6526de
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Create in.deletion
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2019-01-14 09:52:28 +01:00 |
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16b8c94aae
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Add files via upload
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2019-01-14 09:49:37 +01:00 |
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62b4c69360
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Create in.insertion
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2019-01-14 09:48:40 +01:00 |
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261122d59c
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Update README
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2019-01-14 09:43:13 +01:00 |
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7323179de3
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rename pair style lebedeva to lebedeva/z to be consistent with kolmolgorov/crespi/z
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2019-01-03 17:30:16 -05:00 |
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0a610cb482
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Merge branch 'sllod' into collected-post-stable-patches
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2018-12-12 00:14:33 -05:00 |
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b6b813459b
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update example logfiles for USER-DRUDE package
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2018-12-10 11:04:52 -05:00 |
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998a512143
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update log files for USER-UEF
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2018-12-07 10:19:34 -05:00 |
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e61b553bb3
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update USER-MOFF log files
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2018-12-07 05:54:02 -05:00 |
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20eca799b1
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update log files for USER-DIFFRACTION package
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2018-12-07 05:50:39 -05:00 |
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8ce60d8761
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update USER-CGSDK and USER-COLVARS log files
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2018-12-07 05:03:26 -05:00 |
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685a8bfc62
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update or add logs for USER-AWPMD, USER-BOCS, and USER-CGDNA
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2018-12-07 04:32:46 -05:00 |
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cd0924ca4c
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add log files for USER-AWPMD examples
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2018-12-07 03:49:46 -05:00 |
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18f7e96e8a
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update log files for USER-PLUMED examples
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2018-12-06 19:07:36 -05:00 |
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e01ba84fd2
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update log files for USER-SCAFACOS
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2018-12-06 19:01:20 -05:00 |
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55077cea4d
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Merge branch 'lebedeva2' of https://github.com/zbych127/lammps into collected-post-stable-patches
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2018-12-03 15:24:31 -05:00 |
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2d0d08093b
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Another attempt to add Lebedeva potential
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2018-11-28 09:33:44 +01:00 |
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a91d89b516
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avoid array overflows and silence compiler warnings from unused parameters
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2018-11-21 09:24:10 -05:00 |
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9f960baa4f
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restore USER-ATM package data files taken from CVS repo
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2018-11-20 09:17:02 -05:00 |
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a7bfb30043
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update atc/cauchy_born examples with missing files
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2018-11-16 23:03:47 -05:00 |
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e0955f6434
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Merge branch 'master' into sdpd to resolve merge conflicts
# Conflicts:
# cmake/CMakeLists.txt
# src/Makefile
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2018-11-08 16:32:02 -05:00 |
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a6e9b99295
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Merge pull request #1180 from gtribello/master
Add natively supported PLUMED interface to LAMMPS
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2018-11-08 16:16:50 -05:00 |
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a37d718ed1
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update bond/react examples
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2018-11-03 12:01:00 -06:00 |
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badfdd7433
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download only the plumed-src package and include further tweaks to be compatible with plumed 2.5b
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2018-11-03 00:21:10 -04:00 |
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ac11d66d5a
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provide reference logfiles and move generated files to reference folder
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2018-11-02 23:28:09 -04:00 |
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ba6f6f73f1
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first commit: added SDPD
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2018-10-30 17:40:00 +03:30 |
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ff9f836be4
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Merge remote-tracking branch 'upstream/master'
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2018-10-26 22:01:05 +01:00 |
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da84138475
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correct scafacos input example
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2018-10-19 15:31:53 -04:00 |
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5a6226caa5
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jive src headers with doc page entries and example scripts
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2018-09-25 10:50:43 -06:00 |
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44fcdc4024
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update reference examples with versions that do not vary by MPI rank count
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2018-09-06 21:20:47 -04:00 |
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947f574503
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Merge branch 'master' into compute_mop
# Conflicts:
# cmake/CMakeLists.txt
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2018-09-06 21:13:42 -04:00 |
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0c92c22755
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moved contents of USER-MOP package to USER-MISC as suggested by @sjplimp
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2018-09-05 10:56:12 -04:00 |
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d3d16882ca
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remove note for Rene
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2018-09-05 08:12:19 -06:00 |
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ff2e13e063
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Merge branch 'master' into ScaFaCoS
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2018-09-04 21:35:46 -04:00 |
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cb4ffaf95c
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update docs and references for name changes in USER-MOP package, remove obsoleted files
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2018-09-04 08:42:32 -04:00 |
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a797a0d193
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changed computes names to stress/mop and stress/mop/profile
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2018-09-04 14:02:19 +02:00 |
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f6f4b58167
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add parallel reference output
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2018-09-03 23:42:52 -04:00 |
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7b423c6d4b
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integrate USER-MOP package into build and documentat system. apply latest LAMMPS programming style conventions
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2018-09-03 23:37:25 -04:00 |
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9e03bf7db9
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make USER-DIFFRACTION input example fully consistent with output and remove additional input file
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2018-09-01 19:12:46 -04:00 |
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c23534019c
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fixed typo in example file name
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2018-08-21 17:28:42 -06:00 |
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e08aaa7e39
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added examples for P3M with ScaFaCoS
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2018-08-08 15:03:47 -06:00 |
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2a5e550bda
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updated log files
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2018-08-08 15:02:19 -06:00 |
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7f5476b408
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removed deprecated log files (will be replaced with more current ones)
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2018-08-08 14:04:41 -06:00 |
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cdde51d8af
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fixed example so that P3M also works, changed tolerance type in the FMM example
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2018-08-07 14:29:04 -06:00 |
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463e34cef5
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Merge remote-tracking branch 'origin/master' into HEAD
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2018-08-03 08:13:12 -06:00 |
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