190cc78034
add dummy doc files for not-yet-implemented features
2018-01-12 12:29:03 -05:00
75d259f5ee
improve PDF reader compatibility for the created PDF file.
2018-01-12 12:00:53 -05:00
3b1b9a2cbf
replace non-ASCII quotation marks with ASCII equivalent
2018-01-12 11:30:27 -05:00
275c08453f
Add Kokkos versions of pair_style snap and zbl
2018-01-09 17:03:49 -07:00
91107cc1f3
add a "coeffs" keyword to the info command for debugging "All XXX coeffs are not set" errors.
2018-01-09 12:47:33 -05:00
1bd9e175e9
Merge pull request #749 from akohlmey/collected-bugfixes-and-updates
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Collected bugfixes and updates for the next patch release
2018-01-08 09:20:18 -07:00
cc9b6118b8
Merge pull request #748 from stanmoore1/kk_docs
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Update Kokkos docs
2018-01-08 09:15:36 -07:00
1b51efd6b8
Merge pull request #744 from akohlmey/doc-update
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Documentation build updates
2018-01-08 09:15:02 -07:00
75f1a4f3f0
use filelink.o consistently, since filelink does not work with some compilers, e.g. nvcc
2018-01-04 20:43:53 -05:00
ffc74fca6c
Merge branch 'fix_property_atom_doc_update' of https://github.com/Pakketeretet2/lammps into collected-bugfixes-and-updates
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this closes PR #755
2018-01-04 19:46:31 -05:00
c333401e72
Use bold font instead of underscores for emphasis.
2017-12-25 13:27:14 +01:00
a9e9a2046b
Fixes/clarifies the fix_property_atom docs.
2017-12-25 13:03:18 +01:00
d4f45f4f85
correct set command example in fix property/atom
2017-12-24 17:45:58 -05:00
798d68c607
Edits to accelerate_kokkos.txt
2017-12-18 14:50:33 -07:00
73c55ac4d1
Fix up docs after renaming
2017-12-15 14:06:16 -05:00
2a131d1416
Merge remote-tracking branch 'upstream/master' into fix_python_move
2017-12-15 13:56:54 -05:00
bcc5f49d0b
Rename fix python to fix python/invoke
2017-12-15 13:53:04 -05:00
9a71efc5d5
fix neb bugfix from Emile Maras
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NEB was not working fine when using multiple proc
per replica and the keywords last/efirst or last/efirst/middle
I have corrected this in the enclosed fix_neb.cpp
I also slightly modified the nudging for this free end so that
it would be applied only when the target energy is larger than
the energy. Anyway if the target energy is lower than the energy,
the replica should relax toward the target energy without adding
any nudging.
I also modified the documentation according to this change.
2017-12-13 15:19:46 -05:00
8a93f63de9
Update Kokkos docs
2017-12-13 10:05:53 -07:00
81a1c007ed
correct file name for doc file
2017-12-07 16:39:41 -05:00
0b51e9b2ff
add documentation for fix move/python
2017-12-07 16:36:36 -05:00
4b1bcaa1ae
fix speelink in documentation files
2017-12-07 16:01:02 -05:00
3e99d1a83a
Add pair yukawa/kk to Section_commands
2017-12-07 09:06:33 -07:00
bae45e2493
Merge pull request #737 from akohlmey/collected-bugfixes
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Collected bugfixes and small updates for next patch
2017-12-07 08:23:06 -07:00
73d509f339
Merge pull request #735 from jaapkroe/extep
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Add ExTeP pair style
2017-12-07 08:22:34 -07:00
e1189381e0
correct documentation for create_atoms rotate
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This closes #736
2017-11-28 11:19:19 -05:00
5770a20e2c
added ExTeP to USER-MISC
2017-11-27 21:16:51 +01:00
53c1558271
Updated docs for pair_yukawa
2017-11-17 14:21:54 -05:00
ec067bde36
fix cut-n-paste error in create_bond docs
2017-11-13 17:59:16 -05:00
f2dc764d1d
Merge pull request #723 from lammps/replicate_bbox
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Add bounding box to Replicate command
2017-11-13 09:01:38 -07:00
2e40c00995
add option to the print command to also print to the global universe screen and logfile
2017-11-07 10:00:57 -05:00
e337db4059
Replicate bbox from Chris Knight
2017-11-06 11:31:43 -07:00
09c61ca598
correct listing of USER-OMP variants of fix rigid styles
2017-11-06 13:29:59 -05:00
65b77230fd
added missing "dihedral" in compute dihedral/local docs
2017-11-02 15:04:04 -04:00
f6658d10b7
fix incorrect create_atoms example for selecting created atoms with a variable
2017-10-30 23:33:26 -04:00
b63acf6843
Added the UFM files (doc/src - lib/gpu - src)
2017-10-24 11:11:10 -02:00
39df9f5d94
patch 23Oct17
2017-10-23 16:07:21 -06:00
2137be3219
update to doc pages for new coreshell pair styles
2017-10-21 15:50:27 -06:00
998aedc6c1
Merge pull request #670 from vishalkenchan/pair_style/coul_wolf_cs
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add coul/wolf/cs and born/coul/wolf/cs pair styles for CORESHELL package
2017-10-20 16:09:33 -06:00
aaf5e87c84
Merge pull request #703 from akohlmey/custom-rigid-body-generation
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Allow rigid body generation from custom properties
2017-10-20 14:08:15 -06:00
83c7d3a1d2
update fix rigid documentation
2017-10-20 14:18:50 -04:00
f479f02589
Fix a Colvars error that was hidden by the previous segfault
2017-10-20 13:41:31 -04:00
e284545c5b
added some documentation and reference example
2017-10-20 12:03:22 +02:00
6e7504f153
Import segfault fix in Colvars module
2017-10-19 08:09:44 -04:00
b0b67ca610
Merge branch 'master' into master
2017-10-18 18:49:15 -04:00
f709a723cd
cross ref fix deform and new fix nvt/uef
2017-10-18 15:26:15 -06:00
281b1dc375
small updates to recently added docs and rename of an example dir
2017-10-18 14:56:47 -06:00
e93f8f8889
Merge pull request #671 from danicholson/user-uef
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USER-UEF package for extensional flow
2017-10-18 13:38:56 -06:00
35f2cfa0bf
Merge pull request #669 from urpedersen/master
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fix rhok - biasing long-range order
2017-10-18 13:31:15 -06:00
374d619769
add gromos bond style
2017-10-16 14:57:12 -04:00
