a745a0aed0
Commit JT 100318
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- correction forces ewald_dipole
- correction mag. dipolar energy
2018-10-03 10:23:58 -06:00
cdea8968c2
Merge pull request #1143 from athomps/semigrand_issue_1139
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Fixed sign error on mu for semigrand variant of fix atom/swap
2018-10-03 07:42:56 +02:00
9e9b97231c
Fixed sign error on mu for semigrand variant
2018-10-02 16:56:27 -06:00
a549752764
reduce compiler warnings and some more whitespace adjustments
2018-10-02 15:18:15 -04:00
590ab1661e
convert more system headers to c++ style
2018-10-02 15:17:11 -04:00
08b135ce6b
Apply uniform LAMMPS formatting
2018-10-02 14:54:09 -04:00
a6ba55080f
Use MathConst namespace
2018-10-02 14:33:49 -04:00
e3b80e734a
remove trailing whitespace
2018-10-02 12:37:13 -04:00
177044cd07
Merge pull request #1142 from stanmoore1/kk_eam
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Fix bug in Kokkos EAM
2018-10-02 10:28:51 -06:00
ff7449b29a
ensure, that we have no division by zero and add an upper limit for bins
2018-10-02 12:27:05 -04:00
13d3903e8d
integrate compute pressure/cylinder into build and README
2018-10-02 11:56:29 -04:00
f81836d605
reformat compute pressure/cylinder docs and integrate it into the manual
2018-10-02 11:51:23 -04:00
57b2f60556
Fix bug in Kokkos EAM
2018-10-02 09:45:13 -06:00
c7c0defa77
Insert a comma
2018-10-02 10:45:43 -04:00
ac658a17fc
Update compute_pressure_cylinder.cpp
2018-10-02 10:34:08 -04:00
b5a5270f4a
fix typos in compute msd/chunk
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as reported by @evoyiatzis the example is incorrect,
but also a mention of the compute a few lines above.
2018-10-02 16:29:18 +02:00
b481af51d6
add pair_style deprecated and some tweaks for fix style
2018-10-02 16:26:20 +02:00
69c3ff560e
Clarify restrictions and output
2018-10-02 10:11:57 -04:00
af5ac6bcdf
Add NULL pointers to constructor init
2018-10-02 09:55:37 -04:00
89c0655809
Add input validation
2018-10-02 09:46:53 -04:00
3a0cfc1d57
Modifying headers
2018-10-02 09:32:26 -04:00
dba8f9c62b
Merge pull request #1137 from dilkins/fast-forward-langevin
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Fast-forward Langevin functionality included in USER-MISC package
2018-10-02 14:19:37 +02:00
ca3a64ea3e
fully integrate fix ffl in conventional build processing
2018-10-02 11:25:39 +02:00
4b4f7d6ee0
implement conventions for unique links in docs
2018-10-02 11:25:12 +02:00
66bfdd20d4
fully integrate fix ffl docs into the manual system
2018-10-02 11:24:45 +02:00
990a93f9d9
fix typo in example input
2018-10-02 10:58:28 +02:00
d5e71e7099
enumeration of flip types
2018-10-02 10:41:55 +02:00
14251948f3
LAMMPS coding conventions
2018-10-02 10:18:40 +02:00
b9d12f0aa0
Update function pointer name
2018-10-01 22:01:12 -05:00
f61f43a56b
Merge branch 'master' into kim-v2-update
2018-10-01 21:17:26 -05:00
799ffc58d9
C++ system headers included and enumeration of flip_int used;documentation corrected
2018-10-01 17:13:56 +02:00
a333fdac30
correct some documentation issues with the recently added USER-PTM package
2018-09-28 18:02:13 +02:00
ffbc33bea5
Merge branch 'master' into doc-adjust
2018-09-28 17:07:51 +02:00
12d2dd201a
update description of RPM based LAMMPS packages with info from @junghans
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this fixes #1135
2018-09-28 15:47:56 +02:00
497af2ebb9
document eam/cd/old
2018-09-28 13:44:42 +02:00
21c59d4cf0
Fast-forward Langevin functionality included
2018-09-28 12:46:11 +02:00
4fe23c3854
Merge pull request #1120 from pmla/polyhedral-template-matching
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Added compute for Polyhedral Template Matching
2018-09-28 12:26:06 +02:00
1de76c33fd
Merge pull request #1122 from oywg11/master
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collecting small changes for potential #839
2018-09-28 12:22:29 +02:00
2da999d864
cmake: prevent in-source build
2018-09-27 12:18:43 -06:00
e4d4f3a775
Merge pull request #1132 from martok/meam-init
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Small fixes to MEAM/C
2018-09-27 19:40:05 +02:00
19aaf294e5
Commit JT 092718
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- renamed pair/spin/long functions
- started to work on debugging ewald_dipole (force errors)
2018-09-27 10:46:52 -06:00
f58aa05e02
remove references to USER-OMP version of pair style nb3b/harmonic
2018-09-27 07:44:54 -04:00
9ae6cb5c4f
add recently renamed file to purge list
2018-09-27 07:28:44 -04:00
f23b638d47
include USER-PTM into git management
2018-09-27 07:23:38 -04:00
e1627caf04
integrate compute ptm/atom and USER-PTM into the docs
2018-09-27 07:20:03 -04:00
5481e99331
remove broken USER-OMP pair style
2018-09-27 06:52:20 -04:00
91286ddb0e
remove references to fix ave/spatial and ave/spatial/sphere
2018-09-27 06:51:30 -04:00
cf0f3b6b61
Update manual for renamed or removed files
2018-09-27 06:23:59 -04:00
8e7ddff6dc
reverse order in which pdf files are created.
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Creating Developer.pdf first and Manual.pdf later makes
any warnings from the latter step, e.g. about missing
files in doc/src/lammps.book more visible.
2018-09-27 06:15:03 -04:00
7987f3319e
remove outdated references to linux rpms on rpm.lammps.org
2018-09-27 06:05:26 -04:00
