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Diffusion lammps (lammm-master) Graph

lammps/src
lammm-master

History Graph

CommitAuthorDetailsCommitted
7910ec32971fAxel Kohlmeyer
update from trung with bugfixes for tersoff/sw and new tersoff/mod/gpu and… 
Mar 28 2016
349a6c50210dAxel Kohlmeyer
some more tweaking of the table inconsistency warnings output text 
Mar 26 2016
e2a42cf15cc4Axel Kohlmeyer
add additional sanity check to reading polymorphic potential file 
Mar 26 2016
92c812019a24Axel Kohlmeyer
reformat warning about inexact r values. 
Mar 25 2016
b096069daf3cAxel Kohlmeyer
add a bond_write command to write out a table for bond_style table 
Mar 25 2016
d436d96be3f2Axel Kohlmeyer
add check for incomplete data to bond_style table. guess r0, if not given 
Mar 25 2016
ddcafcf9f88dAxel Kohlmeyer
output dependencies only for accepted extensions, provide strdup() 
Mar 25 2016
4c7ef3678317Axel Kohlmeyer
make table inconsistency warnings more informative 
Mar 25 2016
929a50be8179Axel Kohlmeyer
we don't need this header 
Mar 25 2016
f91aefae50a1Axel Kohlmeyer
since we are more paranoid about accuracy of tables in pair table, we should… 
Mar 25 2016
e5ac5440a894Axel Kohlmeyer
since the group is ignored for fix ave/time, we can allow dynamic groups 
Mar 25 2016
ee0226226194Axel Kohlmeyer
remove pair style comb/omp when installing KOKKOS 
Mar 25 2016
bbe60d9a4d0aAxel Kohlmeyer
add test to pair style table to check for completeness of data 
Mar 25 2016
0ea702cb6a59Axel Kohlmeyer
correct string constant syntax error 
Mar 24 2016
210e9f6475efAxel Kohlmeyer
remove some dead code 
Mar 24 2016
0293603fc2e8Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 23 2016
68d7102de76aAxel Kohlmeyer
detect if an outdated version of a polymorphic potential file is read 
Mar 22 2016
c57e61a51f02sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14780 f3b2605a-c512-4ea7… 
Mar 22 2016
c1c464d0335dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14779 f3b2605a-c512-4ea7… 
Mar 22 2016
4dec943a5e0esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14777 f3b2605a-c512-4ea7… 
Mar 22 2016
40a438575d6fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14776 f3b2605a-c512-4ea7… 
Mar 22 2016
8f3d0f743e69sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14773 f3b2605a-c512-4ea7… 
Mar 22 2016
89e3f5b5a2c4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14772 f3b2605a-c512-4ea7… 
Mar 22 2016
5f6a4fb5d8basjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14771 f3b2605a-c512-4ea7… 
Mar 22 2016
89e9c83272d6Axel Kohlmeyer
remove dead code 
Mar 22 2016
6fa71fe66d5aAxel Kohlmeyer
need to purge USER-INTEL specific verlet integrator variants 
Mar 22 2016
8c56f954bc96Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 22 2016
ed3ced9c135bAxel Kohlmeyer
correct NULL pointer dereference in parallel runs 
Mar 22 2016
ba5694c23d3cAxel Kohlmeyer
don't need to check atom->x for being NULL 
Mar 22 2016
855bec24e1e0Axel Kohlmeyer
avoid memory overrun in dump h5md 
Mar 22 2016
88ac0c3fe3bdAxel Kohlmeyer
remove unneeded class member 
Mar 22 2016
4b58079a0822Axel Kohlmeyer
fix typo 
Mar 22 2016
eda01bfd1aabsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14768 f3b2605a-c512-4ea7… 
Mar 22 2016
86fc7d455cacsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14767 f3b2605a-c512-4ea7… 
Mar 22 2016
009f3564e0e0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14766 f3b2605a-c512-4ea7… 
Mar 22 2016
b50f71cd96d6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14765 f3b2605a-c512-4ea7… 
Mar 22 2016
a3ad5b65d3a6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14760 f3b2605a-c512-4ea7… 
Mar 21 2016
36776f425b93sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14756 f3b2605a-c512-4ea7… 
Mar 21 2016
784d8cc2f8a0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14755 f3b2605a-c512-4ea7… 
Mar 21 2016
6e3ea06b1173stamoor
Allowing read_restart to use suffix style with pair style, etc 
Mar 21 2016
1901b7b33e3bstamoor
Allowing read_restart to use suffix style with avec 
Mar 21 2016
2c3e0b69a09bAxel Kohlmeyer
correct voro++ URL in another location 
Mar 21 2016
64281d011d5dAxel Kohlmeyer
make fix reax/c/species compatible with rerun 
Mar 20 2016
c36bd07ff84dAxel Kohlmeyer
avoid uninitialized stack variables 
Mar 20 2016
8bde01547443Axel Kohlmeyer
plug two memory leaks in USER-REAXC 
Mar 20 2016
30d1e018e1abAxel Kohlmeyer
fix cut-n-paste issue in fix pour 
Mar 20 2016
a594a1d6702bAxel Kohlmeyer
fix bug in fix pour due to bad comparison for floating point numbers 
Mar 20 2016
56372120b65bAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 19 2016
042f50ac9c28stamoor
Christian's kokkos patch that allows concurrent host and device threading 
Mar 18 2016
87df1f2fe079Axel Kohlmeyer
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… 
Mar 18 2016
4cc482fd9bc6Axel Kohlmeyer
bugfix from lammps-users for processors command 
Mar 18 2016
233f1eb3b1afAxel Kohlmeyer
simplify makefiles with fastdep enabled 
Mar 17 2016
bf3e84ae7e8bAxel Kohlmeyer
make .gitignore properly only ignore local copies of package files 
Mar 17 2016
e80137ece738Axel Kohlmeyer
more updates to .gitignore 
Mar 16 2016
0152ea9ad041Axel Kohlmeyer
we should use 64-bit memalign by default to be compatible with USER-INTEL 
Mar 16 2016
e9f21ef19056Axel Kohlmeyer
forgot to allocate result vector 
Mar 16 2016
f659311ab90bAxel Kohlmeyer
added a compute pe/mol/tally tallying evdwl/ecoul for inter/intra molecular… 
Mar 16 2016
d4f56129049cAxel Kohlmeyer
pair style rebo/morse makes no sense. removed. 
Mar 15 2016
906ebc261e71Axel Kohlmeyer
Integrate AIREBO-M by merging it into regular AIREBO and building wrapper… 
Mar 15 2016
1a9f4dbcef0bAxel Kohlmeyer
prepare for merging in AIREBO-M code 
Mar 15 2016
21163ae28b36Axel Kohlmeyer
it is bad practice to overwrite members from other classes, and not needed here… 
Mar 15 2016
c874ec86dfc6Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 15 2016
5d2a0214fa3cAxel Kohlmeyer
remove debug printf()s. 
Mar 15 2016
a59445d4b78dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14749 f3b2605a-c512-4ea7… 
Mar 14 2016
61c0608ffa7esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14745 f3b2605a-c512-4ea7… 
Mar 14 2016
16b9206d9897sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14744 f3b2605a-c512-4ea7… 
Mar 14 2016
e02c66b932dbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14740 f3b2605a-c512-4ea7… 
Mar 14 2016
ef01d1b84078Axel Kohlmeyer
correctly identify rigid and rigid/small derived fixes in compute */rigid 
Mar 13 2016
b154a21d50d6Axel Kohlmeyer
add a compute bond that allows accessing per sub-style bond energies. 
Mar 13 2016
ca56f521f43cAxel Kohlmeyer
adapt attribution to usual LAMMPS style 
Mar 11 2016
c80fb4b8ea06Axel Kohlmeyer
Merge branch 'pair-morse-smooth-linear-omp' of https://github. 
Mar 11 2016
b6355a077241Stefan Paquay
Done making changes. 
Mar 11 2016
e58b10fa8121Axel Kohlmeyer
fix bug in lj/charmm/coul/charmm reported on lammps-users 
Mar 11 2016
b0ffa46a3bb9Axel Kohlmeyer
adapt personal makefiles to the new location of fastdep 
Mar 11 2016
1cf0e40793dbAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 11 2016
dd738827fab3Axel Kohlmeyer
fix parallel deadlock bug in dvd and xtc dumps with > 2^31 timesteps reported… 
Mar 11 2016
7c9022e3d5c4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14737 f3b2605a-c512-4ea7… 
Mar 10 2016
f5ceb5b292fdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14736 f3b2605a-c512-4ea7… 
Mar 10 2016
109b9bab2811sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14735 f3b2605a-c512-4ea7… 
Mar 10 2016
f620bcc4f97fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14734 f3b2605a-c512-4ea7… 
Mar 10 2016
b92e2cc67737Axel Kohlmeyer
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… 
Mar 10 2016
169a02118da8Axel Kohlmeyer
simplify .gitignore for packages with suffixes. 
Mar 10 2016
24723b2e1c5fAxel Kohlmeyer
cleaner form of handling nlocal=0 when checking for NaN coordinates 
Mar 9 2016
128f28b2cc1bAxel Kohlmeyer
add support for CUDA_DIR 
Mar 9 2016
978d5786ce4cAxel Kohlmeyer
Merge branch 'merge-pull-35' into lammps-icms 
Mar 8 2016
2762a07efdb4Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 8 2016
c0289662f525Axel Kohlmeyer
adapt fastdep compatible makefiles to new version 
Mar 8 2016
ee1805538c77sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14726 f3b2605a-c512-4ea7… 
Mar 7 2016
f4ac444db294sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14725 f3b2605a-c512-4ea7… 
Mar 7 2016
98633cfa6ac2Axel Kohlmeyer
one more makefile to be converted to fastdep for use with rpm builds 
Mar 6 2016
8b57a67a35e5Axel Kohlmeyer
convert more makefiles to using fastdep. some cleanups. 
Mar 6 2016
a3989db1f4dcAxel Kohlmeyer
enable using fastdep 
Mar 6 2016
116403443ad2Axel Kohlmeyer
remove customization no longer needed when using fastdep 
Mar 6 2016
749ac0560f7eAxel Kohlmeyer
use the new fastdep tool for dependencies 
Mar 6 2016
581aec69a74fAxel Kohlmeyer
Merge branch 'lammps-icms' into merge-pull-35 
Mar 5 2016
631c124828cdAxel Kohlmeyer
make logic of code more obvious 
Mar 5 2016
518e082bfdfcAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 5 2016
d6a67c284913stamoor
Fixing Kokkos bugs 
Mar 4 2016
8574d6ae5117Axel Kohlmeyer
no Install.sh file needed for a regular package with no dependencies 
Mar 3 2016
8bce407ab5e2Axel Kohlmeyer
whitespace cleanup 
Mar 3 2016
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