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Diffusion lammps (lammm-master) Graph

lammps/src/USER-MISC
lammm-master

History Graph

CommitAuthorDetailsCommitted
41b945d0514cAxel Kohlmeyer
restore bugfixes and updates that were lost. flag time dependet. correct use of… 
Sep 21 2016
d298283b5671Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 21 2016
f81f0da7341dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15603 f3b2605a-c512-4ea7… 
Sep 20 2016
ed9f13663bacsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15602 f3b2605a-c512-4ea7… 
Sep 20 2016
484122b8b610sjplimp
sync with GH 
Sep 16 2016
0f6d21acda7bsjplimp
sync with Git 
Sep 14 2016
1dd7a13d8233sjplimp
sync with GH 
Sep 8 2016
39338865845aAxel Kohlmeyer
delete duplicate fclose() in fix ttm/mod constructor 
Sep 8 2016
214494477854Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 1 2016
93c6c26b8396sjplimp
sync with Git 
Aug 31 2016
dd3b0bfffd0eAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 28 2016
236241b10085sjplimp
sync with Git 
Aug 28 2016
4f49acf90303sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15511 f3b2605a-c512-4ea7… 
Aug 28 2016
18d05e04a206sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15509 f3b2605a-c512-4ea7… 
Aug 28 2016
90e6032f973dsjplimp
new fix flow/gauss command 
Aug 28 2016
e017b3389839Axel Kohlmeyer
small cleanup and generalization of fix flow/gauss 
Aug 27 2016
84d0bed33b56Axel Kohlmeyer
enforce C or POSIX locale in all shell scripts and turn of enforced global grep… 
Aug 27 2016
1825f12c2931Axel Kohlmeyer
address issues detected by coverity scan 
Aug 26 2016
9f1759481b3cAxel Kohlmeyer
correct include files format and add missing string.h 
Aug 23 2016
6c927a419da4Steven Strong
revised fix_flow_gauss 
Aug 23 2016
2e7404c96c42Steven Strong
revised fix_flow_gauss 
Aug 23 2016
3309e9d3baf9Steven Strong
revised fix_flow_gauss 
Aug 23 2016
0369d79c398aAxel Kohlmeyer
change pair_coeff syntax for lj/sf/dipole/sf to be backward compatible and… 
Aug 9 2016
ae691ab7865bAxel Kohlmeyer
import updated pair lj/sf/dipole/sf files from sam genheden 
Aug 9 2016
ddd85f006cc8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15369 f3b2605a-c512-4ea7… 
Jul 27 2016
9670f5dedf68Iain Bethune
Remove the long_14* files, not relevant for this feature branch 
Jul 27 2016
b928f98006d1Iain Bethune
Added optimised pair_lj_* code from master 
Jul 26 2016
1c084bc4e517Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 16 2016
eb78022b5a1asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15318 f3b2605a-c512-4ea7… 
Jul 16 2016
9998d7f66dc8Axel Kohlmeyer
integrate dihedral style spherical provided by andrew jewett 
Jul 12 2016
d55f968432a4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7… 
Jun 18 2016
5adc1859a162Axel Kohlmeyer
Merge branch 'respa-for-fixes' into lammps-icms 
Jun 16 2016
10e934b016cdAxel Kohlmeyer
cleanup for fix ttm/mod 
Jun 16 2016
101a1a459a04Axel Kohlmeyer
add respa level support to a large number of fixes 
Jun 16 2016
7b8a96ee8cefAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 1 2016
876b033ea862sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7… 
May 31 2016
0a01592d0aa3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15070 f3b2605a-c512-4ea7… 
May 31 2016
068898765ab5Axel Kohlmeyer
second round of making per-atom allocations consistent. 
May 13 2016
4c07a99a7a88Axel Kohlmeyer
make certain, that per atom storage is consistently allocated for per-atom… 
May 13 2016
997099253b5asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14911 f3b2605a-c512-4ea7… 
Apr 30 2016
d0696ed79cb6Axel Kohlmeyer
fix minor issues flagged by gcc 6.1 
Apr 28 2016
6bc6d4511603sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14901 f3b2605a-c512-4ea7… 
Apr 28 2016
0d4d950ce0c2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14898 f3b2605a-c512-4ea7… 
Apr 28 2016
45d25c6154f6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14705 f3b2605a-c512-4ea7… 
Mar 1 2016
a3b0234a6a1bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14704 f3b2605a-c512-4ea7… 
Mar 1 2016
dd11c888af34Axel Kohlmeyer
remove redundant entry 
Feb 29 2016
33a3c821d123Axel Kohlmeyer
Integrated pair_style morse/smooth/linear from stefan paquay in USER-MISC 
Feb 28 2016
445807e1f36bAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jan 26 2016
49051197a92esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14494 f3b2605a-c512-4ea7… 
Jan 26 2016
f6f88c2f2804sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14455 f3b2605a-c512-4ea7… 
Jan 15 2016
f7e17e97e8f3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14379 f3b2605a-c512-4ea7… 
Dec 17 2015
bb6de06ecaefAxel Kohlmeyer
dead code removal 
Dec 16 2015
5568b56ef299Axel Kohlmeyer
add check to fix SRP to print a warning, if it is pre-empted by other fixes 
Dec 15 2015
e7d896a45938Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Dec 10 2015
93919c35bf48sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14338 f3b2605a-c512-4ea7… 
Dec 9 2015
21260340e42bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14317 f3b2605a-c512-4ea7… 
Dec 9 2015
a473a42a9c3csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14308 f3b2605a-c512-4ea7… 
Dec 9 2015
8446b8cc1b31Axel Kohlmeyer
Merge branch 'srp-refactor' into lammps-icms 
Dec 8 2015
4f2c55d12ed5Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Dec 8 2015
9e4bb887aa36Axel Kohlmeyer
include bugfixes from tim sirk for pair srp to complete refactoring 
Dec 8 2015
32acf721464bathomps
Simplified non-overlap condition 
Dec 5 2015
ddc83f6ed0b4Axel Kohlmeyer
add paolo raiteri's contributions README 
Dec 3 2015
aac76184756bAxel Kohlmeyer
update paolo raiteri's code and docs to match LAMMPS' conventions. 
Dec 2 2015
f4523f2d8b37Axel Kohlmeyer
import contributed code from paolo raiteri into USER-MISC 
Dec 2 2015
7edc6c212676Axel Kohlmeyer
code can run now from restart and data file with existing bond particles. 
Dec 2 2015
2b526801f4fdAxel Kohlmeyer
implement the always-delete approach to srp. also make bptype a possible input… 
Dec 1 2015
b10ae0abaf08sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14270 f3b2605a-c512-4ea7… 
Nov 21 2015
7bf781c1f6e3Axel Kohlmeyer
create ancillary fix SRP instance in pair srp constructor. 
Nov 13 2015
b741a7771217sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14243 f3b2605a-c512-4ea7… 
Nov 7 2015
1e9a4cc4b808Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Oct 31 2015
354e20f43157sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7… 
Oct 30 2015
9333dc81477fAxel Kohlmeyer
make sure we return 0.0 in case no scalar compute condition is met 
Oct 24 2015
cee848f94865sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7… 
Oct 23 2015
be8c761243c0Axel Kohlmeyer
remove obsolete code that has been replaced/renamed by steve 
Oct 22 2015
823cc16bdf78Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Oct 22 2015
8a10c55a3b2csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14139 f3b2605a-c512-4ea7… 
Oct 21 2015
abe4c06219b8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14138 f3b2605a-c512-4ea7… 
Oct 21 2015
b036260091bdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14135 f3b2605a-c512-4ea7… 
Oct 21 2015
d145ae099ed8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14134 f3b2605a-c512-4ea7… 
Oct 21 2015
9a878cdd6718sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7… 
Oct 21 2015
685057a5b0a6Axel Kohlmeyer
remove dead code 
Oct 15 2015
01bc89804f49Axel Kohlmeyer
make output format compatible with 64-bit atom tags 
Oct 13 2015
8cdb890b10c6Axel Kohlmeyer
add argument checking and handle timerstep counters with 64-bit integers… 
Oct 13 2015
9b3877270cb6Axel Kohlmeyer
avoid potential NULL pointer dereference 
Oct 12 2015
47dff86b8412Axel Kohlmeyer
remove dead code 
Oct 12 2015
ce2945e50e20Axel Kohlmeyer
make sure energy is 0.0 in case Pair::ev_tally() is called for vflag but no… 
Oct 7 2015
6854017f1cc1Axel Kohlmeyer
avoid appying uninitialized forces for short distances 
Oct 6 2015
f21ad0786284Axel Kohlmeyer
plug (unlikely) memory leaks 
Oct 3 2015
00a9c05d2a66Axel Kohlmeyer
need to include stdlib.h when using free() 
Oct 2 2015
651923956374Axel Kohlmeyer
remove unlikely potential memory leak and more LAMMPS conforming error handling 
Sep 30 2015
b09f5abaaa4cAxel Kohlmeyer
fix memory leak and off-by-one error 
Sep 29 2015
70d3f68ab7e9Axel Kohlmeyer
fix typo detected by coverity scan 
Sep 29 2015
277406923690Axel Kohlmeyer
avoid division by zero 
Sep 29 2015
38158c71d65cAxel Kohlmeyer
check for positive return value before calling ftruncate() 
Sep 29 2015
b9592245ea97Axel Kohlmeyer
allow variable size host string 
Sep 28 2015
1000caeceae3Axel Kohlmeyer
incorporate contributed code from jorge ramirez 
Sep 28 2015
c503b8736d38Axel Kohlmeyer
undo cosmetic differences between LAMMPS-ICMS and LAMMPS 
Sep 3 2015
7746cf6aae01Axel Kohlmeyer
remove obsolete, undocumented or unused styles 
Aug 26 2015
dbaf66018cf4Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 25 2015
2a05c2eaec21sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13723 f3b2605a-c512-4ea7… 
Jul 25 2015
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