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8396ade280
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update information about the ubuntu binaries to recommend the new stable packages
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2020-07-10 22:50:47 -04:00 |
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64dad33c12
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whitespace fixes
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2020-07-10 18:22:11 -04:00 |
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92d225a68c
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write_data support for body style rounded/polyhedron
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2020-07-10 16:17:07 -06:00 |
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9b3ffa5487
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enables body style rounded/polygon to write to data files
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2020-07-10 10:42:36 -06:00 |
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df63d4147d
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Merge branch 'reset-molecules' into write-bonus-data
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2020-07-10 10:25:08 -04:00 |
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49780480a8
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count total number of styles including aliases, suffixes, and undocumented
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2020-07-09 20:52:57 -04:00 |
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9ec77585ea
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make compress yes the default
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2020-07-09 20:46:45 -04:00 |
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9c97ca11fe
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adjust regex for removed styles to correctly handle command styles
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2020-07-09 20:46:31 -04:00 |
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e0e24799c2
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simplify formulations a little bit. update example command lines
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2020-07-09 19:52:49 -04:00 |
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9e83279887
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minor adjustments to new reset_mol_ids command
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2020-07-09 15:40:24 -06:00 |
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a98d21f002
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Added gradgradflag option to compute mliap
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2020-07-07 20:43:40 -06:00 |
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a7369e76cd
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Added gradgradflag option to compute mliap
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2020-07-07 20:42:03 -06:00 |
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e459ee8a58
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whitespace fixes
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2020-07-07 20:25:59 -04:00 |
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6239a579e8
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clarify units for energy terms with angles
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2020-07-07 15:19:17 -06:00 |
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fd95fc98c5
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add support for auto offset and singlezero option
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2020-07-07 17:14:29 -04:00 |
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d3853af4be
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add singlezero keyword to compute fragment/atom to give all single non-bonded atoms an ID of 0
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2020-07-07 17:13:43 -04:00 |
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5c59f6af87
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Merge branch 'reset-molecules' of github.com:lammps/lammps into reset-molecules
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2020-07-07 13:48:25 -04:00 |
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94e9b3bc82
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rename reset_ids command to reset_atom_ids
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2020-07-07 13:32:00 -04:00 |
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0944eda391
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final details for offset keyword added to reset_mol_ids
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2020-07-07 09:07:48 -06:00 |
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7870a89133
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added note to doc page
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2020-07-07 08:48:24 -06:00 |
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fcc6ed3a58
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add offset option to reset_mol_ids command
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2020-07-07 08:37:48 -06:00 |
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91a8df1903
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Modified files according to request
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2020-07-06 20:20:28 +01:00 |
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836570ec26
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update docs
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2020-07-06 14:12:37 -04:00 |
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58cd6a160c
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Merge branch 'master' into reset-molecules
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2020-07-06 14:07:48 -04:00 |
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a1011b606e
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new reset_mol_ids command
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2020-07-06 10:50:34 -06:00 |
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2977a8aa15
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Merge pull request #2211 from athomps/compute-mliap
Add compute style mliap to MLIAP package
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2020-07-06 12:47:41 -04:00 |
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d768069cfe
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Merge pull request #2205 from akohlmey/collected-small-changes
Collected small changes for the next patch release
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2020-07-06 12:46:16 -04:00 |
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5d0800beef
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Merge pull request #2204 from rbberger/doc-changes
Documentation Changes: split pair_lj.rst
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2020-07-06 12:19:06 -04:00 |
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47d77530e2
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updated as requested by @sjplimp
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2020-07-06 11:45:16 -04:00 |
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022252dde0
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add a paragraph to the output howto explaining how ambiguity is resolved
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2020-07-06 11:13:23 -04:00 |
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14321d1fa0
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add option to compute chunk/atom to access the number of chunks as a global scalar
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2020-07-03 22:19:44 -04:00 |
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c3f8644613
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Merge branch 'master' into compute-mliap
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2020-07-03 14:26:38 -06:00 |
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feec9673d8
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Fixed html and spelling warnings
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2020-07-03 14:03:00 -06:00 |
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9d0aee7426
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Added doc page for compute mliap and updated examples
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2020-07-03 13:43:51 -06:00 |
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def0cf8a7b
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Corrected typo
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2020-07-03 17:54:31 +01:00 |
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59aa8a5e12
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Modified files according to PR
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2020-07-03 17:48:49 +01:00 |
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543371374a
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typo fix
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2020-07-03 11:42:31 -04:00 |
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ab785e8a89
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Add Coulomb sections in TIP4P page
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2020-07-03 11:37:11 -04:00 |
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52b92e743e
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Add missing reference
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2020-07-03 11:33:51 -04:00 |
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1815ab610e
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remove hard dependency and configure spelling extension only if it can load enchant properly
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2020-07-03 11:26:43 -04:00 |
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089c4ed5d9
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Added fix/bond/create/angle class and docu
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2020-07-03 09:21:00 +01:00 |
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28bbb6afbc
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Doc page for compute mliap
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2020-07-02 17:09:10 -06:00 |
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4660c043d8
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fix typo
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2020-07-02 13:31:02 -04:00 |
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84ee52a6e5
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add false positive
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2020-07-01 19:09:11 -04:00 |
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70d3d56944
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add minimal doc page for compute smd/ulsph/effm
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2020-07-01 18:44:24 -04:00 |
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ed56878271
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remove specific dump styles from overview page
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2020-07-01 18:43:53 -04:00 |
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791bb9f6d5
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Update mentions of soft variants
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2020-07-01 17:14:30 -04:00 |
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7671d12ef8
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added some more detail to the bond special doc page
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2020-07-01 14:55:48 -06:00 |
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0a18c52414
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Split pair_lj.rst into three files
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2020-07-01 14:27:06 -04:00 |
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6af407d01e
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remove trailing whitespace
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2020-06-30 17:48:18 -04:00 |
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