Homec4science
Diffusion lammps (lammm-devel) Graph

Graph
lammm-devel

History Graph

CommitAuthorDetailsCommitted
eb855c6a149dAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
May 22 2015
b63f8fdc2fffAxel Kohlmeyer
properly update the total atom count whem lost atoms are ignored 
May 22 2015
6c25b4019e07Axel Kohlmeyer
clean up documentation of the variable command a bit. 
May 21 2015
43d738e168b2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13484 f3b2605a-c512-4ea7… 
May 21 2015
85976b29adccAxel Kohlmeyer
two more example computes for using the ev tally infrastructure 
May 20 2015
75ae099b03c3Axel Kohlmeyer
clean up some missed changes. 
May 20 2015
1cdb64a7863eAxel Kohlmeyer
rename compute tally/stress to stress/tally 
May 20 2015
bb341874d8a3Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 20 2015
9d8ec277cb3fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13483 f3b2605a-c512-4ea7… 
May 19 2015
ca99a2ccfc7aAxel Kohlmeyer
Merge branch 'ev-tally-compute' into lammps-icms 
May 19 2015
3e9391bc6c63Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into ev-tally-compute 
May 19 2015
69b8a38a9c80Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
May 19 2015
4ecbf6f45609Axel Kohlmeyer
add group handling to tally between two groups 
May 19 2015
e2092c09ed62Axel Kohlmeyer
fix total virial bug when running in parallel 
May 19 2015
9d79aadd9f53Axel Kohlmeyer
correct bugs in clearing arrays and unit conversion 
May 19 2015
4e9e279dd9bfAxel Kohlmeyer
mostly functional example code 
May 19 2015
f110488db006athomps
Added inside_nonperiodic() 
May 18 2015
d9be5d7d63d3athomps
Switched some inside() checks to inside_nonperiodic() checks 
May 18 2015
b2b721f5fbffathomps
Updated full_energy description 
May 18 2015
bff094784db4athomps
Added error message to list 
May 18 2015
e9dd5d8a65f1Axel Kohlmeyer
clean up callback registration and improve implementation 
May 17 2015
31632ec34c5eAxel Kohlmeyer
move the basic code from the Pair::ev_tally() hook from a fix to a compute 
May 16 2015
f9de6b9e61a9Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
May 16 2015
26c09979f3b0athomps
Added inside box check for fix_gcmc moves 
May 16 2015
aef75ace77e7athomps
Added inside box check for fix_gcmc moves 
May 16 2015
410549ec46b3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13475 f3b2605a-c512-4ea7… 
May 15 2015
fcbf8275eb91sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13473 f3b2605a-c512-4ea7… 
May 15 2015
7c5320e342d7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13472 f3b2605a-c512-4ea7… 
May 15 2015
07f62aea1a51sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13471 f3b2605a-c512-4ea7… 
May 15 2015
723da5079ab7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13470 f3b2605a-c512-4ea7… 
May 15 2015
8177dd7612fasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13469 f3b2605a-c512-4ea7… 
May 15 2015
b206e23b33bdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13468 f3b2605a-c512-4ea7… 
May 15 2015
6106843d57afsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13467 f3b2605a-c512-4ea7… 
May 15 2015
1bdd915a90bfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13466 f3b2605a-c512-4ea7… 
May 15 2015
a32bfebe880asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13465 f3b2605a-c512-4ea7… 
May 15 2015
c3fd41010d41sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13464 f3b2605a-c512-4ea7… 
May 15 2015
2284dcc4527asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13463 f3b2605a-c512-4ea7… 
May 15 2015
29746678ff3esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13461 f3b2605a-c512-4ea7… 
May 15 2015
437099b1e237Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
May 15 2015
21db4bc68c68Axel Kohlmeyer
update to USER-FEP docs and examples 
May 15 2015
f084911239b0Axel Kohlmeyer
fix known inconsistencies with exclusions for coul/dsf styles 
May 14 2015
09581bb143a6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13460 f3b2605a-c512-4ea7… 
May 14 2015
5f17c678555eAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 12 2015
d2f90c7e0c6dathomps
Added intra_energy keyword 
May 12 2015
1f21a5dcc45aathomps
Added intra_energy keyword 
May 12 2015
720490cfa461athomps
Added group keywords to fix gcmc, fixed destructor 
May 12 2015
9817ae90faedAxel Kohlmeyer
remove redundant text in dump_modify 
May 11 2015
4a7038a4200bAxel Kohlmeyer
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… 
May 11 2015
a6f703593c9bAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 9 2015
948f84d30d0cAxel Kohlmeyer
nullify deleted objects, so we get a proper segfault if they are run after… 
May 8 2015
0c0441b870a0athomps
Added group keywords to fix gcmc 
May 8 2015
4dff6763963fathomps
Added group keywords to fix gcmc 
May 8 2015
5779fc409753athomps
Added group keywords to fix gcmc 
May 8 2015
73a87e7923d4athomps
Added group keywords to fix gcmc 
May 8 2015
a04a5a07b518Axel Kohlmeyer
better output format for special_bond status print 
May 8 2015
0d96d673f851Axel Kohlmeyer
add support for comments between data file sections on request of AEI 
May 5 2015
ab63c524cf26Axel Kohlmeyer
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… 
May 1 2015
17b6d21e20b8Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 1 2015
682950268bd1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13450 f3b2605a-c512-4ea7… 
Apr 30 2015
606e83152883sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13449 f3b2605a-c512-4ea7… 
Apr 30 2015
45b935ead3f4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13448 f3b2605a-c512-4ea7… 
Apr 30 2015
46f2fdffac4cAxel Kohlmeyer
convert error messages into warnings as per steve's request 
Apr 30 2015
8d99bf477938sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13447 f3b2605a-c512-4ea7… 
Apr 30 2015
b56841770858sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13446 f3b2605a-c512-4ea7… 
Apr 30 2015
c676c2d5607csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13445 f3b2605a-c512-4ea7… 
Apr 30 2015
f539e43b2253sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13444 f3b2605a-c512-4ea7… 
Apr 30 2015
71df48bd6addsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13443 f3b2605a-c512-4ea7… 
Apr 30 2015
69f51bc5f49eAxel Kohlmeyer
don't allow tail correction or shifting the potential when computation is… 
Apr 30 2015
759e21d8cd25Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Apr 29 2015
fa0f5d01559aathomps
Made formulas even more obvious 
Apr 28 2015
189e6df16e34athomps
Made formulas a little more obvious 
Apr 28 2015
4bf8c2e76b6dAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Apr 28 2015
6ec03732d101sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13440 f3b2605a-c512-4ea7… 
Apr 28 2015
62b14981d793sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13438 f3b2605a-c512-4ea7… 
Apr 28 2015
b665182eb5b2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13437 f3b2605a-c512-4ea7… 
Apr 28 2015
a6c0fb87e205athomps
Corrected error in etail and ptail 
Apr 28 2015
5a88d7477a46athomps
Corrected error in etail and ptail 
Apr 28 2015
e416658ad0a0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13434 f3b2605a-c512-4ea7… 
Apr 27 2015
9c83d53cf061sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13433 f3b2605a-c512-4ea7… 
Apr 27 2015
45ca7c3df5c1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13432 f3b2605a-c512-4ea7… 
Apr 27 2015
f3abe5b8af7aAxel Kohlmeyer
fix bug reported by "kimmo" 
Apr 27 2015
f3b21a9ca31bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13431 f3b2605a-c512-4ea7… 
Apr 27 2015
51d6ecbae9fesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13430 f3b2605a-c512-4ea7… 
Apr 27 2015
19e272943a16sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13429 f3b2605a-c512-4ea7… 
Apr 27 2015
0223573fcd3fAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Apr 25 2015
882279e4a4a4Axel Kohlmeyer
avoid compiling with AVX instructions, since valgrind doesn't support them 
Apr 25 2015
2ff979f33054Axel Kohlmeyer
correct bug in compute XXX/chunk commands reported by vitaly botan 
Apr 25 2015
df73b94b93c4Axel Kohlmeyer
add documentation for hybrid option to r-RESPA 
Apr 24 2015
5c417cf9b524Axel Kohlmeyer
add support for fix adapt to morse pair style 
Apr 24 2015
5bc5c72e4be8Axel Kohlmeyer
fix compilation with cygwin 
Apr 24 2015
fd6c391e0365Axel Kohlmeyer
fix typo 
Apr 24 2015
d0c7e9067156Axel Kohlmeyer
Merge branch 'lammps-icms' into hybrid-respa 
Apr 23 2015
e34f0e135c85Axel Kohlmeyer
add support for handling per atom torque to the respa integrator 
Apr 23 2015
53ff434e2c24Axel Kohlmeyer
add support to store torque in addition to forces to fix respa 
Apr 23 2015
673154cad370Axel Kohlmeyer
update colvars library to the latest bugfixes as of 2015-04-22 
Apr 23 2015
a29cd4a9d65dAxel Kohlmeyer
set kspace automatically to the outmost hybrid level if not assigned. 
Apr 22 2015
00c7605552cfAxel Kohlmeyer
add some simple test cases for r-RESPA 
Apr 22 2015
df7433c01f51Axel Kohlmeyer
merged and refactored code do to per-substyle r-RESPA for pair hybrid 
Apr 22 2015
6fb031e5ef21sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13425 f3b2605a-c512-4ea7… 
Apr 21 2015
4dfa225a1b8eAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Apr 19 2015
Prev
1
2
3
4
Next
c4science · Help