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17,323 Commits 9 Branches 198 Tags 1.1 GiB
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17323 Commits

Author SHA1 Message Date
Axel Kohlmeyer 72b295d7f4
add support for internal style variables to info command 2019-06-10 18:21:17 -04:00
Axel Kohlmeyer b9e10d55e2
Merge pull request #1492 from akohlmey/collected-small-changes 
Collected small changes for the next patch
 2019-06-07 11:07:10 -04:00
Axel Kohlmeyer 1f1a0f95b2
Merge pull request #1497 from junghans/check_for_immintrin 
cmake: check for immintrin.h
 2019-06-07 10:57:56 -04:00
Axel Kohlmeyer 61e9dc4c8d
more accurate checking for styles using utils::strmatch() instead of strcmp() or strncmp() 2019-06-07 07:14:57 -04:00
Axel Kohlmeyer b53df3dd63
disable optimization on functions building factories for many entries 
this will speed up compilation and also avoid spurious warnings with gcc 4.4 and later
 2019-06-06 20:37:17 -04:00
Axel Kohlmeyer 56e3b1d1f4
remove dead code 2019-06-06 20:22:08 -04:00
Axel Kohlmeyer fde7e2de3c
switch to use alternate flag 2019-06-06 15:08:26 -04:00
Axel Kohlmeyer e2391edce6
turn off only variable tracking and make people wait again 2019-06-06 14:44:28 -04:00
Axel Kohlmeyer e549f911f7
turn off variable tracking through turning off optimization for GCC 4.4 and later 
This will avoid a difficult to interpret warning and in
addition speed up compilation of this one file by avoiding
to try to optimize something, that needs no optimization.
 2019-06-05 14:36:08 -04:00
Axel Kohlmeyer 34dca6dc79
advance warning message about collecting styles and packages info to an earlier slot in the process 2019-06-05 14:32:02 -04:00
Christoph Junghans 2ebc40deb3 cmake: check for immintrin.h 2019-06-05 11:13:48 -06:00
Axel Kohlmeyer 8e43a45925
Detect and error out on invalid kspace mesh settings. make coulomb and dispersion settings consistent 2019-06-05 01:10:44 -04:00
Axel Kohlmeyer 92f078cfff
nicer typesetting of "none, zero, hybrid" potential styles in commands lists 2019-06-04 22:29:25 -04:00
Axel Kohlmeyer 0849e03d1b
Merge pull request #1490 from akohlmey/next_version 
Step version number for stable release
 2019-06-04 15:23:13 -04:00
Axel Kohlmeyer 045c312c49
Merge pull request #1489 from akohlmey/cmake-2.8-compatibility 
Change test for OpenMP default setting to be compatible with CMake 2.8.x
 2019-06-04 11:03:22 -04:00
Axel Kohlmeyer 47c6cd86f2
Merge pull request #1477 from jrgissing/bond/react-reaction_topology_overflow 
Implement fix bond/react reaction topology overflow checks
 2019-06-04 11:02:57 -04:00
Axel Kohlmeyer 27cd78b96d
Merge pull request #1488 from akohlmey/doc-removed-features 
Document removed features
 2019-06-03 22:58:20 -04:00
Axel Kohlmeyer dd97a7540e
Merge pull request #1486 from sstrong99/patch-1 
Fix error in E3B documentation
 2019-06-03 22:58:02 -04:00
Axel Kohlmeyer 272c536326
use 3 letters for month only 2019-06-03 22:52:40 -04:00
Axel Kohlmeyer 0b13fbe733
step version number for stable release 2019-06-03 22:47:44 -04:00
Axel Kohlmeyer 021f0c1fc6
use consistent variable evaluation in if() 2019-06-03 19:50:48 -04:00
Axel Kohlmeyer 5d96ecff25
fix typo 2019-06-03 19:44:40 -04:00
Axel Kohlmeyer c76b79f021
chance test for OpenMP default setting to be compatible with CMake 2.8.x 2019-06-03 19:36:28 -04:00
Axel Kohlmeyer a981626948
mention restart2data as removed feature as well 2019-06-03 09:01:22 -04:00
Axel Kohlmeyer 5f79a9ef80
mention dummy commands with error messages that have been added instead of removed commands 2019-06-02 21:51:06 -04:00
Axel Kohlmeyer 674e3975a8
add section to the Commands chapter listing and explaining removed packages and styles 2019-06-02 21:47:29 -04:00
Axel Kohlmeyer d0286b3de1
remove mention of USER-CUDA package and fix typo 2019-06-02 20:19:17 -04:00
jrgissing 983f3adbb4 bond/react doc final touches 2019-06-02 12:35:38 -06:00
jrgissing 58a88dff95 bond/react doc correction 2019-06-02 12:10:43 -06:00
jrgissing 0ba38aa072 bond/react doc tweak 2019-06-02 12:05:01 -06:00
jrgissing 2e63280f87 Update fix_bond_react.txt 2019-06-02 11:54:31 -06:00
jrgissing 68eab23cf8 bond/react: doc clarification 2019-06-01 16:24:37 -06:00
Steven Strong 6175f2dce8
Fix error in E3B documentation 2019-05-31 15:03:04 -05:00
Axel Kohlmeyer dc1e31506e
Merge pull request #1480 from akohlmey/next_version 
Step version string for next release
 2019-05-31 14:40:13 -04:00
Axel Kohlmeyer 68d69955d0
fix off-by-one error 2019-05-31 14:38:12 -04:00
Axel Kohlmeyer 5f657b9184
step version string for next release 2019-05-31 14:37:31 -04:00
Axel Kohlmeyer 3e4fd3dade
Merge pull request #1484 from akohlmey/reneighbor-64-bit-restart-fix 
Restart updates for fixes atom/swap, deposit, and gcmc
 2019-05-31 13:05:53 -04:00
Axel Kohlmeyer 3e05b983c1
Merge pull request #1483 from akohlmey/cmake-workaround-for-gcc-9 
Do not enable OpenMP by default for gcc 9.x with CMake
 2019-05-31 13:05:37 -04:00
Axel Kohlmeyer d8a30a9697
Merge pull request #1475 from akohlmey/collected-small-changes 
Collected small changes for stable release
 2019-05-31 13:05:21 -04:00
Axel Kohlmeyer 972a7a5c4d
add false positive for spell checking 2019-05-31 05:58:47 -04:00
jrgissing 311aebf7ff Update Errors_warnings.txt 2019-05-30 23:30:35 -06:00
jrgissing 16a254f6bd Update Errors_messages.txt 2019-05-30 23:29:43 -06:00
jrgissing 80d906d445 bond/react: update error messages 2019-05-30 23:27:23 -06:00
Axel Kohlmeyer 8b169d97f5
update documentation for updates to fix restarting 2019-05-31 00:58:10 -04:00
Axel Kohlmeyer f73c848ee4
detect and error out when timestep was reset when restarting fixes atom/swap, gcmc, or deposit 2019-05-31 00:31:36 -04:00
Axel Kohlmeyer 4243af30d7
properly store 64-bit integers for next_reneighbor into double type buffers for restarts of fixes 
also store number of attemps and number of successes in restart and retrieve those from it
 2019-05-31 00:23:12 -04:00
Axel Kohlmeyer 9d51ee17b0
change the default for gcc 9.x and beyond to not enable OpenMP by default even if it is found to be supported 
this is so that using CMake by default will compile LAMMPS, since gcc 9.x
expects different sharing semantics for constants than previous versions.
 2019-05-30 22:23:50 -04:00
Axel Kohlmeyer c903a110fe
fix typo 2019-05-30 18:36:09 -04:00
Axel Kohlmeyer 02e7dd5716
also allow %e in format variables of suffix 2019-05-30 14:52:26 -04:00
Axel Kohlmeyer 1a5c3c6dcb
add check that allows only %f and %g conversions in variable format strings 2019-05-30 14:46:07 -04:00