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b0eb940b05
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Added numdiff to false positives
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2020-02-25 16:30:13 -07:00 |
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72891aacb2
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Fixed groups not working
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2020-02-25 16:23:35 -07:00 |
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809d481fd1
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Merge branch 'master' of https://github.com/charlessievers/lammps into fix_numerical_differentiation
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2020-02-25 15:35:53 -07:00 |
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13bff07606
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Added documentation, added an example, avoided position round off, added in compute_pe's compute_scalar, now fix produces per-atom array instead of global array
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2020-02-25 15:32:37 -07:00 |
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8e1928aa65
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First batch of index cleanup and code-blocks
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2020-02-25 14:46:22 -05:00 |
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e87b3a21c2
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complete documentation for LAMMPS plugin coupling example
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2020-02-25 14:10:55 -05:00 |
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e083f38c59
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Merge pull request #1892 from sef43/master
temper timeout synchronization fix
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2020-02-25 13:26:30 -05:00 |
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958d5ca05b
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Merge pull request #1897 from akohlmey/user-sdpd-atom-style-check
Add check for required atom properties in USER-SDPD
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2020-02-25 13:26:00 -05:00 |
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4180b4a7d6
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add example to COUPLE folder demonstrating loading LAMMPS as a plugin.
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2020-02-25 19:07:49 +01:00 |
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eb51511ddf
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Change compute entropy/atom to use occasional neigh list
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2020-02-25 10:48:00 -07:00 |
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928ac7f271
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Fix typo
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2020-02-25 10:34:29 -07:00 |
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a44e49e276
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Add Kokkos version of compute coord/atom
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2020-02-25 10:22:30 -07:00 |
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a3c5c49a6b
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Make k_qnarray public
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2020-02-25 10:20:21 -07:00 |
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1fc4dc151f
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typo
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2020-02-25 18:11:31 +01:00 |
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7acba4584d
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added group2ID
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2020-02-25 18:05:36 +01:00 |
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1a2a9f2209
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small correction/simplification of the linking to LAMMPS library examples
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2020-02-25 17:36:37 +01:00 |
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96d04b8a6c
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Update LAMMPS lexer for docs
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2020-02-25 11:30:20 -05:00 |
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00137765a8
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Delete fix_propel_self.h
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2020-02-25 17:17:13 +01:00 |
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cdfb1d5026
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Delete fix_propel_self.cpp
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2020-02-25 17:16:59 +01:00 |
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59370d797f
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Use more generic type for k_qnarray
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2020-02-25 08:58:01 -07:00 |
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6956dc1a33
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Added safeguard to thole pair styles
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2020-02-25 16:50:49 +01:00 |
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26f11f19a7
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update LAMMPS version string
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2020-02-25 15:04:56 +01:00 |
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3168c1116f
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fixed group selection
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2020-02-25 14:16:21 +01:00 |
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bf62646977
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add check for required atom properties to USER-SDPD
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2020-02-25 14:08:55 +01:00 |
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8d427b54ec
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small tweaks
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2020-02-25 00:42:57 -05:00 |
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c505058c5c
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Add flag for Kokkos computes
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2020-02-24 15:43:29 -07:00 |
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11cda92ebb
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add some false positives
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2020-02-24 17:19:29 -05:00 |
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4ed1b4c3c7
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Moved the chunking keyword to pair_snap.rst
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2020-02-24 15:09:51 -07:00 |
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003ef9d98a
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add missing table
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2020-02-24 17:03:06 -05:00 |
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bf4ad9ddd7
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remove unused equation file
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2020-02-24 16:45:42 -05:00 |
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351bca4ccb
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convert pair style bop to class2
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2020-02-24 16:43:40 -05:00 |
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3aa6f39425
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convert pair styles colloid to dipole
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2020-02-24 16:19:24 -05:00 |
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02e287bf51
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convert pair styles dpd to exp6
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2020-02-24 15:41:16 -05:00 |
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29075c8257
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Fix compile issue
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2020-02-24 13:31:13 -07:00 |
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796e1ac4e9
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Update docs
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2020-02-24 13:29:22 -07:00 |
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dd3d5f1f95
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Merge branch 'master' of github.com:lammps/lammps into kk_compute_orientorder_atom
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2020-02-24 13:28:06 -07:00 |
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674781fe0e
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Add Kokkos version of compute orientorder/atom
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2020-02-24 13:27:40 -07:00 |
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7ee39416b4
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Small doc tweak
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2020-02-24 13:08:31 -07:00 |
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406ead64b5
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Update docs
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2020-02-24 13:04:34 -07:00 |
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1b7a8d8875
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Make Kokkos pair_snap chunksize user-settable
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2020-02-24 12:53:01 -07:00 |
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9955c8f94b
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convert pair styles gauss to gromacs
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2020-02-24 13:30:58 -05:00 |
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8774ec04a9
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convert pair styles hbond to lebedeva
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2020-02-24 12:01:22 -05:00 |
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6139617458
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convert remaining lj pair styles
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2020-02-24 10:50:31 -05:00 |
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d00f8fcd0a
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convert pair styles local/density to meam/c
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2020-02-24 09:21:08 -05:00 |
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0b10c0ac60
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convert math in more pair styles
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2020-02-24 07:46:51 -05:00 |
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54b7480478
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convert pair styles sdk to soft
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2020-02-23 16:33:37 -05:00 |
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eaeb9cad33
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trim the lammps logo a little bit
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2020-02-23 15:01:10 -05:00 |
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0cc3f234dc
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convert math in spin and sph pair styles
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2020-02-23 15:00:43 -05:00 |
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d9a7edcf1a
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Merge commit 'refs/pull/1893/head' of github.com:lammps/lammps into release-preparation
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2020-02-23 13:38:26 -05:00 |
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607604d38c
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Added oxrna2 information
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2020-02-23 17:36:57 +00:00 |
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