Diffusion lammps (master) History

USER-COLVARS
master2b1e3a30bd1a5416fbd2bab…

Jun 28 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
2b1e3a30bd1a
·Axel Kohlmeyer on Jun 28 2013, 13:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10126 f3b2605a-c512-4ea7…
cf667e892fb5
·sjplimp on Jun 28 2013, 01:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10121 f3b2605a-c512-4ea7…
040ec54ecd58
·sjplimp on Jun 28 2013, 00:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10120 f3b2605a-c512-4ea7…
738d90076211
·sjplimp on Jun 28 2013, 00:50.

Jun 27 2013

documentation update for colvars
a5d55a6f764a
·Axel Kohlmeyer on Jun 27 2013, 20:26.

Jun 23 2013

massive patch to flag non-numeric input
0e045500433f
·Axel Kohlmeyer on Jun 23 2013, 14:34.

Jun 19 2013

restore calls that were accidentally removed
516c2f98725c
·Axel Kohlmeyer on Jun 19 2013, 13:28.
since we use unwrapped coordinates, we must not compute the minimum image…
ab6a2a3d3083
·Axel Kohlmeyer on Jun 19 2013, 00:54.
elminate obsolete code
9ec60113f9d7
·Axel Kohlmeyer on Jun 19 2013, 00:51.
provide meaningful log message when re-initializing masses
6f48ddb24fb1
·Axel Kohlmeyer on Jun 19 2013, 00:51.
more changes to support late initialization of masses
7d444dcb714b
·Axel Kohlmeyer on Jun 19 2013, 00:22.

Jun 11 2013

small updates/corrections from giacomo
0567f76d4c67
·Axel Kohlmeyer on Jun 11 2013, 06:16.

Jun 10 2013

bugfix from giacomo
267262bc32f8
·Axel Kohlmeyer on Jun 10 2013, 21:25.

Jun 7 2013

update the readme in src/USER-COLVARS as well
22eb9e8f5d3b
·Axel Kohlmeyer on Jun 7 2013, 17:05.

Jun 5 2013

update of colvars library
77ed62b93ba1
·Axel Kohlmeyer on Jun 5 2013, 14:12.

Jun 1 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
ce2b853e4a11
·Axel Kohlmeyer on Jun 1 2013, 13:53.

May 31 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9987 f3b2605a-c512-4ea7…
a5da3aa1ce77
·sjplimp on May 31 2013, 17:17.

May 30 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9948 f3b2605a-c512-4ea7…
8623d964ade4
·sjplimp on May 30 2013, 18:45.

May 28 2013

document errors and warnings from colvars fix
c959a0f978de
·Axel Kohlmeyer on May 28 2013, 10:30.
add check for atom map. move check for tags to init() method
c3cbec581da0
·Axel Kohlmeyer on May 28 2013, 10:30.

May 26 2013

properly handle keywords without argument as error
6c59b035b601
·Axel Kohlmeyer on May 26 2013, 23:09.
moved initialization to setup phase. more checks
a48e8ac0fb51
·Axel Kohlmeyer on May 26 2013, 22:02.
be more paranoid about automatic restart file name generation
2a6c84f74242
·Axel Kohlmeyer on May 26 2013, 15:59.

May 25 2013

add support to use lammps restart for colvars. use two step init.
c9f71fac0e71
·Axel Kohlmeyer on May 25 2013, 11:05.

May 24 2013

improvements to serialization/deserialization feature
2e722ce5df91
·Axel Kohlmeyer on May 24 2013, 15:14.

May 22 2013

partial implementation of using a restart string
cc4c798df7f5
·Axel Kohlmeyer on May 22 2013, 21:44.
implement a write_dump command
2b4ccce590d4
·Axel Kohlmeyer on May 22 2013, 16:07.

May 21 2013

support only a selected number of target in generic lib makefile. include debug…
035ec0845502
·Axel Kohlmeyer on May 21 2013, 17:46.

May 17 2013

support using arch specific object directories for libraries, so one can have…
46205c160793
·Axel Kohlmeyer on May 17 2013, 15:33.

May 13 2013

properly format index file
007a1d741c5e
·Axel Kohlmeyer on May 13 2013, 18:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9876 f3b2605a-c512-4ea7…
208a91224c84
·sjplimp on May 13 2013, 16:13.
Merge branch 'group2ndx' into lammps-icms
63759a1dfe38
·Axel Kohlmeyer on May 13 2013, 15:09.
whitespace fixups
e0d1dc6c6f86
·Axel Kohlmeyer on May 13 2013, 15:08.
remove some dead code
fbfb6b5194c3
·Axel Kohlmeyer on May 13 2013, 15:06.
fix comment text
13b8aed7e964
·Axel Kohlmeyer on May 13 2013, 14:20.
added implementation of group2ndx command
d9b5ec17e8dc
·Axel Kohlmeyer on May 13 2013, 14:20.

Apr 23 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9784 f3b2605a-c512-4ea7…
313bbf774be3
·sjplimp on Apr 23 2013, 21:03.
change default for fix colvars to use unwrapped coordinates.
65c9e32d2ee2
·Axel Kohlmeyer on Apr 23 2013, 11:40.

Apr 17 2013

enable unwrap flag on fix colvars command line
cd4e2499e096
·Axel Kohlmeyer on Apr 17 2013, 12:15.
add code to allow passing unwrapped coordinates to colvars library
3dc7452a87a8
·Axel Kohlmeyer on Apr 17 2013, 12:06.

Jan 25 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9321 f3b2605a-c512-4ea7…
8a00b0e000e6
·sjplimp on Jan 25 2013, 17:33.

Jun 20 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8360 f3b2605a-c512-4ea7…
4baf5cec9930
·sjplimp on Jun 20 2012, 20:06.

Jun 19 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8343 f3b2605a-c512-4ea7…
dc9431dcb221
·sjplimp on Jun 19 2012, 22:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8342 f3b2605a-c512-4ea7…
7b55b61abb74
·sjplimp on Jun 19 2012, 22:33.

Jun 7 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7…
ef9e70054573
·sjplimp on Jun 7 2012, 00:47.

May 23 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8165 f3b2605a-c512-4ea7…
5ea3c4d23a0a
·sjplimp on May 23 2012, 18:24.

lammps/src/USER-COLVARSmaster2b1e3a30bd1a5416fbd2bab…

Jun 28 2013

Jun 27 2013

Jun 23 2013

Jun 19 2013

Jun 11 2013

Jun 10 2013

Jun 7 2013

Jun 5 2013

Jun 1 2013

May 31 2013

May 30 2013

May 28 2013

May 26 2013

May 25 2013

May 24 2013

May 22 2013

May 21 2013

May 17 2013

May 13 2013

Apr 23 2013

Apr 17 2013

Jan 25 2013

Jun 20 2012

Jun 19 2012

Jun 7 2012

May 23 2012

lammps/src/USER-COLVARS
master2b1e3a30bd1a5416fbd2bab…