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CommitAuthorDetailsCommitted
6a9721193268sjplimp/GitHub
Merge pull request #192 from rbberger/python-interface-bugfix 
Oct 5 2016
c46be7db625eSteve Plimpton
changes to imbalance weight factors 
Oct 5 2016
e2caf5c10577Richard Berger
Fix code path which allows passing a C++ ptr to PyLammps 
Oct 4 2016
11c2892e54cfSteve Plimpton
Merge branch 'restrict-weights-and-weight-factors' of https://github. 
Oct 4 2016
91be47a0d084Richard Berger
Revert type checking commit from July 
Oct 4 2016
ab92529b1953sjplimp/GitHub
Merge pull request #191 from akohlmey/updated-charmm2lammps 
Oct 4 2016
e07936277635sjplimp/GitHub
Merge pull request #190 from akohlmey/small-bufixes-and-enhancements 
Oct 4 2016
c3ff8812b34dSteve Plimpton
added XOR operator to variable command 
Oct 4 2016
03766dbda76fAxel Kohlmeyer
apply bugfix for MEAM provided by Wolfgang Verestek on lammps-users 
Oct 3 2016
6e719f2d9469Axel Kohlmeyer
remove trailing whitespace 
Oct 3 2016
45d2cc28951dAxel Kohlmeyer
permission update for ch2lmp tool folder 
Oct 3 2016
690f91300b63Axel Kohlmeyer
rebuild charmm2lammps example output files with updated tools 
Oct 3 2016
3b94627dfea5Axel Kohlmeyer
properly handle -nohints flag, make -cmap flag take version as option. step… 
Oct 3 2016
c2e11dffa2ebAxel Kohlmeyer
import updated charmm2lammps.pl script from Rober Latour 
Oct 3 2016
1985db4fb152Axel Kohlmeyer
correct designation of meam supporting USER-OMP and meam/spline not 
Oct 2 2016
a3e05a2bac7dAxel Kohlmeyer
permission cleanup 
Oct 1 2016
035279de8762Axel Kohlmeyer
correct logic bug in bufix for fix tmd 
Oct 1 2016
e2c7acabac53sjplimp/GitHub
Merge pull request #187 from akohlmey/colvars-update-2016-09-30 
Sep 30 2016
91edee25302asjplimp/GitHub
Merge pull request #186 from akohlmey/small-bugfixes 
Sep 30 2016
b9d0f96a1923Steve Plimpton
change purge target in Makefile, also fixed one issue with Make.py 
Sep 30 2016
d45e333f7c47Axel Kohlmeyer
restrict choice of weight factors and guarantee that weights are >= 0.001 
Sep 30 2016
5bb85b482d71Axel Kohlmeyer
remove unused variable 
Sep 30 2016
d4b074d85b68Axel Kohlmeyer
enable dynamic groups for fix dt/reset 
Sep 30 2016
6d200061ca64Axel Kohlmeyer
update colvars library to version 2016-09-30 
Sep 30 2016
cb7bd2799e7eAxel Kohlmeyer
flag header as C++ to emacs 
Sep 30 2016
4337f2c240d7Axel Kohlmeyer
include charmm22 and charmm36 cmap files and include date added signature 
Sep 30 2016
0eeb24073051Axel Kohlmeyer
whitespace cleanup, fix bug in looking for empty strings, improve read… 
Sep 30 2016
c88acc961340Axel Kohlmeyer
make reader for target geometry file more resilient 
Sep 30 2016
f7b5afee82a1sjplimp/GitHub
Merge pull request #184 from akohlmey/dynamic-groups-for-respa 
Sep 29 2016
a315dcda9b84Axel Kohlmeyer
remove dead code 
Sep 29 2016
f6c77c3aba63Axel Kohlmeyer
support dynamic groups with run style respa 
Sep 29 2016
5b2becd09b97Axel Kohlmeyer
Merge branch 'integration' into new-master 
Sep 29 2016
78a22be93ffdsjplimp
sync Make.py and fix addforce change with GHub 
Sep 29 2016
596b260f5d48sjplimp/GitHub
Merge pull request #45 from akohlmey/small-bugfixes 
Sep 29 2016
446e7e736936Steve Plimpton
patch for allowing prd command to work with sorted atoms 
Sep 29 2016
189825489c73sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15673 f3b2605a-c512-4ea7… 
Sep 29 2016
bdd0f665cabfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15672 f3b2605a-c512-4ea7… 
Sep 29 2016
6897cc803f19sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15671 f3b2605a-c512-4ea7… 
Sep 29 2016
f511c177c694sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15670 f3b2605a-c512-4ea7… 
Sep 28 2016
1ec3987b313fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15669 f3b2605a-c512-4ea7… 
Sep 28 2016
8c1d0031c999Axel Kohlmeyer
correct typo in Make.py 
Sep 28 2016
45e50b46c3c6sjplimp
sync with GH 
Sep 27 2016
829d11e88b9bsjplimp/GitHub
Merge pull request #44 from rbberger/doc-fixes 
Sep 27 2016
1adf3858a9bfAxel Kohlmeyer
correct bug and synchronize fix addforce respa level init with other fixes 
Sep 27 2016
96f31d6dade5sjplimp/GitHub
Merge pull request #43 from akohlmey/doc-fixes 
Sep 27 2016
35705217f4bbSteve Plimpton
enable multi-processor NEB replicas 
Sep 27 2016
9a2f7386731eSteve Plimpton
sync with SVN 
Sep 27 2016
f82e0c53b634sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15666 f3b2605a-c512-4ea7… 
Sep 27 2016
1fbddc97d114sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15665 f3b2605a-c512-4ea7… 
Sep 27 2016
1cfa49f03d6fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15664 f3b2605a-c512-4ea7… 
Sep 27 2016
3486b7d503fbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15663 f3b2605a-c512-4ea7… 
Sep 27 2016
6fedf8d89965sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15662 f3b2605a-c512-4ea7… 
Sep 27 2016
56b0856e2febsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15661 f3b2605a-c512-4ea7… 
Sep 27 2016
f9c204972474Axel Kohlmeyer
need to ignore new fix cmap sources 
Sep 27 2016
e1c6b6b7d153Axel Kohlmeyer
correctly handle exceptions raised from subprocess module 
Sep 27 2016
3333e4b47562athomps
Put snap before zbl to get more helpful error message 
Sep 27 2016
a3a3af691c07Steve Plimpton
Merge branch 'balance' into integration 
Sep 27 2016
f9677e6d7b71Steve Plimpton
released version of weighted balancing 
Sep 27 2016
2ae966c26f78sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15657 f3b2605a-c512-4ea7… 
Sep 27 2016
d1b8ffd92409sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15656 f3b2605a-c512-4ea7… 
Sep 27 2016
b66039b8bbcasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15653 f3b2605a-c512-4ea7… 
Sep 27 2016
995ecea5ed41sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15652 f3b2605a-c512-4ea7… 
Sep 27 2016
43633180ebe3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15651 f3b2605a-c512-4ea7… 
Sep 27 2016
b68e9547617csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15650 f3b2605a-c512-4ea7… 
Sep 27 2016
2b88050a1febsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15649 f3b2605a-c512-4ea7… 
Sep 27 2016
063307c71ca4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15648 f3b2605a-c512-4ea7… 
Sep 27 2016
f280bd32a669sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15647 f3b2605a-c512-4ea7… 
Sep 27 2016
53eac4431d50sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15646 f3b2605a-c512-4ea7… 
Sep 27 2016
a3277117e250Richard Berger
Add filter which merges preformatted sections 
Sep 27 2016
67d4c07689a3Richard Berger
Do not escape underscore inside preformat blocks 
Sep 27 2016
877a5049332eRichard Berger
Fix typo in Section_howto.txt 
Sep 27 2016
8a951f9d7983Axel Kohlmeyer
fix typo 
Sep 27 2016
69a8842ecb81Axel Kohlmeyer
update load balance weights documentation for fix balance and balance 
Sep 27 2016
2af5c75f4269Axel Kohlmeyer
correct issue from merge 
Sep 27 2016
158599fca211Axel Kohlmeyer
Merge branch 'balance2' into weighted-balancing 
Sep 27 2016
7732548b3c0fAxel Kohlmeyer
correct issues related to the addition of fix cmap 
Sep 27 2016
2c5f6e1a993bAxel Kohlmeyer
fix a broken link that slipped through the cracks in the previous cleanup 
Sep 27 2016
d0aa13b5431cRichard Berger
Fix broken link in Section_packages.txt 
Sep 26 2016
c31b026797cfAxel Kohlmeyer
Merge branch 'integration' into weighted-balancing 
Sep 26 2016
47b52ed2ddf4Axel Kohlmeyer
Merge branch 'integration' into balance2 
Sep 26 2016
fb64ae612f94sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15645 f3b2605a-c512-4ea7… 
Sep 26 2016
c87f9aeb9f4eRichard Berger
Merge remote-tracking branch 'akohlmey/integration' into ipython-update-and… 
Sep 26 2016
b97b9dd66188Steve Plimpton
new fix cmap command 
Sep 26 2016
5769c1018967sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15643 f3b2605a-c512-4ea7… 
Sep 26 2016
7453a4f55f21sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15642 f3b2605a-c512-4ea7… 
Sep 26 2016
50d59454d239sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15640 f3b2605a-c512-4ea7… 
Sep 24 2016
24ff008a0f14sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15639 f3b2605a-c512-4ea7… 
Sep 24 2016
da480bd4d4ebsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15638 f3b2605a-c512-4ea7… 
Sep 24 2016
8a6e5ed3ced4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15637 f3b2605a-c512-4ea7… 
Sep 24 2016
756cac0f60f0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15636 f3b2605a-c512-4ea7… 
Sep 24 2016
8662662afe69sjplimp
fix ti/spring 
Sep 23 2016
86d17a578411sjplimp/GitHub
Merge pull request #42 from akohlmey/redo-fix-ti-spring-fixes 
Sep 23 2016
f718c544300esjplimp
sync with GH 
Sep 23 2016
c00cd6192d9csjplimp/GitHub
Merge pull request #41 from akohlmey/doc-fixes 
Sep 23 2016
fc031c34bdddsjplimp/GitHub
Merge pull request #40 from akohlmey/eam-fixes-for-scale 
Sep 23 2016
d730cda2480fsjplimp/GitHub
Merge pull request #37 from rbberger/library_interface_abort 
Sep 23 2016
6f4b7268ded6Steve Plimpton
sync with SVN 
Sep 23 2016
08f0bf90253eSteve Plimpton
new verion of balance weighting 
Sep 23 2016
2a30b7627777sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15633 f3b2605a-c512-4ea7… 
Sep 23 2016
3d5f5bf40e58Axel Kohlmeyer
a few more consolidations of link anchors 
Sep 23 2016
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