a001f2c248
cmake: turn PNG, JPEG, GZIP and FFMPEG into options
2018-05-09 15:54:04 -06:00
8104568b6a
cmake: improve check again make-based build system
2018-05-09 15:26:59 -06:00
96d1c421df
cmake: improve summary
2018-05-09 15:19:52 -06:00
dde271db36
Merge pull request #900 from lammps/install
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Consistency tweaks to various package Install.sh files and related shell scripts
2018-05-09 15:10:35 -06:00
a7a83b118d
update dependencies for USER-CGSDK package. make script permissions consistent
2018-05-09 16:13:54 -04:00
8697cac6aa
make QEQ package depend on MANYBODY
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the qeq/fire style depends on pair style comb,
thus QEQ needs and explicit Install.sh file and
it has to depend on MANYBODY
2018-05-09 16:06:37 -04:00
96c5c92b1a
USER-DPD: bugfix for AtomVecDPD::unpack_restart() and the Kokkos version
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Also, cleaned up UCG_MASK and UCGNEW_MASK usage in atom_vec_dpd_kokkos.cpp
Fixes a crash when using the python interface on a 2nd LAMMPS invocation
when using the restart (or replicate) commands, because of garbage
in the uCG and uCGnew arrays leftover from the previous LAMMPS invocation.
2018-05-09 15:00:10 -05:00
793260f227
consistency tweak to package LATTE Install.sh file
2018-05-09 11:47:57 -06:00
e5a589e05a
Merge pull request #898 from robeme/fix_restrain_individual_energies
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Output individual energies in fix restrain
2018-05-09 11:43:52 -06:00
dc8e141501
Merge pull request #896 from akohlmey/cplusplus-compliance-lib
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C++ style header includes and C++ standard conforming code changes in lib folder
2018-05-09 11:43:03 -06:00
9f03a6798f
Merge pull request #880 from stanmoore1/kk_dep
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Remove Kokkos deprecated code
2018-05-09 11:41:25 -06:00
b4e5828a60
Update fix_restrain.cpp
2018-05-08 15:36:32 -04:00
671876efef
Make the description of global properties more explicit
2018-05-08 15:33:42 -04:00
8705ea9fc5
replace pointless use of strncat() emulating strcat() with plain strcat()
2018-05-08 08:49:05 -04:00
16697fc4cb
forgot to reduce energies
2018-05-08 10:46:41 +02:00
53fc9f1f0f
updated doc for new fix restrain output
2018-05-08 10:11:00 +02:00
6960529594
set appropriate flags for computing a vector in constructor of fix restrain
2018-05-08 10:02:10 +02:00
fccc16f42c
tune OpenCL for generic architecture by default
2018-05-08 00:50:23 -04:00
e7e1827e57
remove variable length arrays in gpu lib
2018-05-08 00:48:53 -04:00
c9817b0db9
update src/.gitignore
2018-05-08 00:33:27 -04:00
318dfd0613
correct indentation
2018-05-08 00:32:49 -04:00
f4d14c96e8
convert poems lib to use c++-style header includes
2018-05-08 00:29:56 -04:00
3394d18a2a
convert gpu lib to use c++-style include files
2018-05-08 00:25:10 -04:00
ff6507e7b7
convert colvars lib to use c++ style header files
2018-05-08 00:17:57 -04:00
fff962646f
convert awpmd header include to c++ style
2018-05-08 00:10:20 -04:00
f39a8d46d1
convert atc library header files to C++ style
2018-05-08 00:05:18 -04:00
00b92cd93b
Merge pull request #11 from lammps/master
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rebase
2018-05-07 21:58:57 -06:00
808eb2a25e
Merge pull request #895 from junghans/cmake
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cmake: remove obsolete BODY/POEMS conflict
2018-05-07 16:43:25 -06:00
1888b616c4
remove some extra semicolons
2018-05-07 18:04:25 -04:00
761b15b8f4
cmake: remove obsolete BODY/POEMS conflict
2018-05-07 16:03:23 -06:00
cde6e9b7c4
Fix CUDA issue in pair_exp6_rx_kokkos
2018-05-07 15:51:15 -06:00
104dde27ed
eliminate variable length arrays from AtC lib for C++ standard compliance
2018-05-07 17:36:34 -04:00
bfdfd36c1c
Merge pull request #894 from akohlmey/cplusplus-clang-fixes
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More fixes to conform with C++ standards as indicated by Clang
2018-05-07 14:53:43 -06:00
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
82217001c8
must use fabs() on doubles, not abs(), to avoid ambiguity
2018-05-07 15:56:35 -04:00
b2370b6986
use correct namespace when instantiating IntelBuffers;
2018-05-07 15:49:51 -04:00
624173d25a
Merge branch 'master' into kk_dep
2018-05-07 13:42:33 -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
d203118286
update rigid body reference outputs. add bodyforces early examples
2018-05-07 14:19:50 -04:00
74fbb84b8c
Merge pull request #878 from jrgissing/group_extract
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Group extract
2018-05-07 11:45:37 -06:00
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
8ec033e823
Merge pull request #889 from akohlmey/cplusplus-compliance
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Collected changes to restore C++ standard compliance
2018-05-07 10:42:22 -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
bc0c405bfa
Merge pull request #887 from akohlmey/create-bonds-single-bugfix
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Fix bug in create_bonds single/bond
2018-05-07 10:37:00 -06:00
1ea5b9eabb
Merge pull request #879 from mdelyser/USER-BOCS
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USER-BOCS
2018-05-07 10:34:51 -06:00
