d237625d2a
patch 22Jun18
2018-06-22 14:08:09 -06:00
510834cb7b
Merge pull request #960 from lammps/latte-tweak
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made latte.in compatible with v1.1.1 and updated log files
2018-06-22 10:18:19 -06:00
f5f73b0172
Merge pull request #958 from ndtrung81/gpu-updates
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Bug fixes and updates to the GPU package
2018-06-22 08:52:20 -06:00
cbfb751e92
made latte.in compatible with v1.1.1 and updated log files
2018-06-21 11:10:29 -06:00
a9b794b2ab
Updates to the core-shell gpu pair styles
2018-06-20 10:43:13 -05:00
03a7d1cd5d
Merge pull request #933 from rtoijala/fix_dt_reset_energy
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Limit atom energy change in fix dt/reset
2018-06-18 13:43:03 -06:00
08331da93d
Merge pull request #950 from martok/subst-equal-fmt
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Add support for inline format strings to immediate variable substitution
2018-06-18 13:42:24 -06:00
ab0f3debeb
Merge pull request #948 from martok/variable-string
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Variable style 'string' substitutes variables in definition
2018-06-18 10:50:36 -06:00
c4bcb7e73d
mention requirement to come after the box creation in Restrictions section
2018-06-15 17:52:54 -04:00
18b543179c
fix typo
2018-06-15 17:47:23 -04:00
14c4438a72
update docs to reflect the state of reserving space for topology info with molecule files
2018-06-15 17:46:09 -04:00
5fcdfe6dcb
describe the use of wildcards for adapting ranges of bond types
2018-06-15 17:35:43 -04:00
c5b51df06e
Add support for inline format strings to immediate variable substitution
2018-06-14 14:17:37 +02:00
3e79296dcf
Variable style 'string' substitutes variables in definition
2018-06-14 13:10:08 +02:00
56c3a0be29
support virtualenv on machines with python3 where it is called virtualenv-3
2018-05-31 19:03:28 -04:00
cf3095e938
document restartinfo bug message, add check to Pair::write_restart as well
2018-05-31 19:02:03 -04:00
38182dcc60
clarify docs on what energy is monitored
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changes to the energy only consider the kinetic energy, so make that explicit in the augmented `fix dt/reset` docs
2018-05-31 17:32:19 -04:00
b9a8f91753
Limit atom energy change in fix dt/reset
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Allow limiting of the maximum energy change of an atom in
fix dt/reset in addition to the existing distance limit.
Useful especially for high-energy irradiation.
2018-05-28 10:57:40 +03:00
cab602045e
tweaks to doc pages
2018-05-18 08:37:29 -06:00
363d8ef775
tweaks1
2018-05-13 15:45:43 -06:00
a449488b1d
simplify
2018-05-13 12:14:15 -06:00
e076d08ee9
correctly render doc page
2018-05-12 14:17:29 -06:00
ca6920be72
Merge pull request #907 from akohlmey/dump_maxfile
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Implement 'dump_modify maxfiles' feature
2018-05-12 12:59:33 -06:00
0f32d603b5
tweaks to dump_modify maxfiles doc page
2018-05-11 15:52:18 -06:00
3440b1a2a7
Merge pull request #909 from lammps/tablecut
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new dihedral table/cut command
2018-05-11 15:41:52 -06:00
4d34e55072
rename jpeg file, recreate tex file and fix typo in docs for dihedral style table/cut
2018-05-11 17:31:14 -04:00
821ef0cf77
update documentation for dihedral style table/cut
2018-05-11 16:08:23 -04:00
8d24101df4
patch 11May18
2018-05-11 14:04:49 -06:00
9674512997
new dihedral table/cut command
2018-05-11 07:36:40 -06:00
7780d92823
implement 'dump_modify maxfiles' feature as discussed
2018-05-10 23:25:26 -04:00
671876efef
Make the description of global properties more explicit
2018-05-08 15:33:42 -04:00
53fc9f1f0f
updated doc for new fix restrain output
2018-05-08 10:11:00 +02:00
a4759210a8
Merge pull request #893 from ohenrich/user-cgdna
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Docs update and journal reference for USER-CGDNA package
2018-05-07 14:39:32 -06:00
7fed6c7e4c
Merge pull request #634 from craabreu/master
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Computation of forces/torques on rigid bodies moved to post_force
2018-05-07 14:39:10 -06:00
7cf42e42eb
make links to citations unique across files 2/2
2018-05-07 14:25:18 -04:00
d80b375e26
make links to citations unique across files 1/2
2018-05-07 14:24:00 -04:00
5076b6d161
Removed old documentation
2018-05-07 18:25:55 +01:00
fcdcdb3286
Merge branch 'master' into user-cgdna
2018-05-07 18:19:24 +01:00
722549965e
Added reference to implementation paper
2018-05-07 18:13:18 +01:00
ca96a7ab05
Merge pull request #891 from akohlmey/collected-small-changes
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Collected small changes, fixes and updates
2018-05-07 10:43:19 -06:00
a7c9418629
Merge pull request #890 from jrgissing/bond_react_final_touches
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bond/react final touches
2018-05-07 10:37:47 -06:00
d9d33ac766
add ability to set multiplicity for dihedrals with fix restrain
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this introduces an optional keyword, so backward compatibility is preserved.
this closes #884
2018-05-07 07:23:29 -04:00
d51745fd27
whitespace cleanup
2018-05-07 07:23:29 -04:00
c3588f08b7
provide keyword/value option to compute ackland/atom for selecting legacy or current variant of implementation
2018-05-07 07:23:29 -04:00
ecfe5c8373
use american spelling of neighbor consistently in docs and code comments
2018-05-07 07:23:29 -04:00
5e49976b70
correct typo in fix bond/react docs
2018-05-06 11:17:34 -04:00
916ed71760
fix bond/react final touches
2018-05-06 00:34:03 -06:00
735bceb468
Merge branch 'master' into USER-BOCS
2018-05-05 10:21:21 -04:00
81293b0fda
changes to integrate USER-BOCS into LAMMPS and to closer follow the LAMMPS programming/documentation style
2018-05-05 10:21:11 -04:00
844858d3a7
2nd set of updates
2018-05-03 17:00:08 -06:00
