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17,336 Commits 9 Branches 198 Tags 1.1 GiB
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17336 Commits

Author SHA1 Message Date
Andrew Schultz 2d90bb9947 Unbreak computes.txt 2019-06-10 17:12:01 -04:00
Andrew Schultz b195ccfb27 Unbreak compute.txt 2019-06-10 17:08:40 -04:00
Andrew Schultz 45a2f9ae68 Merge remote-tracking branch 'upstream/master' 2019-06-10 16:15:07 -04:00
Andrew Schultz e438d46ee2 Add README in src directory 2019-06-10 16:14:28 -04:00
Andrew Schultz 5c9c15025a Add bits to Packages_details, Packages_user, fix up typos 2019-06-10 16:13:34 -04:00
Andrew Schultz ad8fd4a2a4 Clean up comments 2019-06-10 16:13:09 -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