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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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5062c43aea
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rename example outputs
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2018-11-12 12:32:53 -07:00 |
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3b7ebbb8df
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new hyper examples
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2018-11-12 12:32:53 -07:00 |
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d7a479d2f6
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hyper example dir
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2018-11-12 12:32:52 -07:00 |
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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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1d38f2d725
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Merge pull request #1165 from akohlmey/refactor-kspace-base-class
Refactor kspace base class to have a settings() method
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2018-10-23 10:35:12 -04:00 |
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76a2a9ab0a
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Fixed normalization error for ordinate degree
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2018-10-20 17:16:47 -06:00 |
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8223f5e0a3
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Eliminated another initialization error and tweaked rdf-adf example
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2018-10-20 16:46:45 -06:00 |
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2140caa6f5
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add an example for RDF and ADF computation with water molecules
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2018-10-20 08:12:02 -04:00 |
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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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1d3116d7c2
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Merge branch 'master' into less-compiler-warnings
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2018-09-04 08:59:12 -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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5f0423b97d
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change -mpi to -mpicolor
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2018-08-31 17:04:27 -06:00 |
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78301e5e93
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Merge branch 'master' into cslib
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2018-08-31 16:30:28 -06:00 |
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f66ce801ad
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final testing
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2018-08-31 16:21:45 -06:00 |
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bc62002b1c
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units and doc changes
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2018-08-31 16:05:24 -06:00 |
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83d453e78b
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updates to MD protocol and examples
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2018-08-28 17:08:52 -06:00 |
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31ed3f7178
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more changes to insure each triplet IJK computed exactly once
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2018-08-27 17:09:59 -06:00 |
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44bda245a6
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resolution of cutoff issues
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2018-08-24 09:36:39 -06:00 |
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03b880a31c
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more doc page updates
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2018-08-22 11:42:41 -06:00 |
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89a3670fb5
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merge master into cslib branch, update docs
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2018-08-22 11:19:55 -06:00 |
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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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74633ce28f
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fixed merge conflict
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2018-08-08 09:53:27 -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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4d75d2d611
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more changes to ATM source and doc file
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2018-08-06 20:49:05 +01:00 |
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5789ef9128
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bug-fix for slope() function in variable
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2018-08-03 10:08:02 -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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b2d1332d46
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change proc count to color for MPI_Comm_split
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2018-08-02 14:47:20 -06:00 |
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d877a12e0c
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Merge branch 'fix_xrd_histo' of https://github.com/king-michael/lammps into collected-small-fixes
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2018-08-01 13:57:56 +02:00 |
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c8be5a3f2d
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change ave/histo to ave/histo/weight
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2018-08-01 11:11:18 +02:00 |
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