Diffusion lammps (lammm-master) History

lammps/src
lammm-masterb0ffa46a3bb994e3fe0c157…

Aug 3 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13762 f3b2605a-c512-4ea7…
78d00c3f326f
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13761 f3b2605a-c512-4ea7…
3d6d16425d1f
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13757 f3b2605a-c512-4ea7…
b583cd7a98af
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13756 f3b2605a-c512-4ea7…
490b7838d436
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13748 f3b2605a-c512-4ea7…
453d34bc8bda
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13747 f3b2605a-c512-4ea7…
a1906675e52e
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13746 f3b2605a-c512-4ea7…
3f7b61ee3e62
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13734 f3b2605a-c512-4ea7…
3890c4674290
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13731 f3b2605a-c512-4ea7…
c51a96a2ddde
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13723 f3b2605a-c512-4ea7…
be36d9625591
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13722 f3b2605a-c512-4ea7…
419c06dadc95
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13718 f3b2605a-c512-4ea7…
7a9fd2c83743
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13716 f3b2605a-c512-4ea7…
fa607d6b87b5
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13715 f3b2605a-c512-4ea7…
d001d63c5d79
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13712 f3b2605a-c512-4ea7…
f3c116402a03
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13708 f3b2605a-c512-4ea7…
6b3e440f5cbd
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13696 f3b2605a-c512-4ea7…
47fb1cd98630
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13693 f3b2605a-c512-4ea7…
8e03fff96c45
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13691 f3b2605a-c512-4ea7…
173df37b38ad
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13688 f3b2605a-c512-4ea7…
0dc432570f08
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13681 f3b2605a-c512-4ea7…
161f0205b2fb
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13680 f3b2605a-c512-4ea7…
27def043d9a3
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13677 f3b2605a-c512-4ea7…
c4cbaf7ebb21
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13673 f3b2605a-c512-4ea7…
fcbb1aa0a0c1
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13672 f3b2605a-c512-4ea7…
2d67e221ef92
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13671 f3b2605a-c512-4ea7…
3fe4540914e3
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13669 f3b2605a-c512-4ea7…
422cdd84a877
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13668 f3b2605a-c512-4ea7…
d2b8e2fd2a82
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13666 f3b2605a-c512-4ea7…
e85673a5ba63
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13653 f3b2605a-c512-4ea7…
9950ce401f7c
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13652 f3b2605a-c512-4ea7…
2f1b21afb45e
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13648 f3b2605a-c512-4ea7…
3d79dbc13b9a
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13644 f3b2605a-c512-4ea7…
b461fa2a1d83
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13643 f3b2605a-c512-4ea7…
29814f5dcf82
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
Fixing warning
7683e5028a6b
·stamoor / Pierre de Buyl on Aug 3 2015, 21:00.
Slight tweak to Kokkos Phi Makefile
478fa48f934e
·stamoor / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13640 f3b2605a-c512-4ea7…
08a75f9193c8
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
Slight tweak to Kokkos pair styles to use texture cache memory
06cb58c598c9
·stamoor / Pierre de Buyl on Aug 3 2015, 21:00.
Slight tweaks to Kokkos CUDA makefile
be0ba2892e82
·stamoor / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13631 f3b2605a-c512-4ea7…
10e1fc4865c7
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13627 f3b2605a-c512-4ea7…
320c0b57ed22
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13624 f3b2605a-c512-4ea7…
aa3c0c88f234
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13623 f3b2605a-c512-4ea7…
9827576ee5fc
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13618 f3b2605a-c512-4ea7…
db1b9eab9cc8
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13616 f3b2605a-c512-4ea7…
f8c05094d8d6
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13609 f3b2605a-c512-4ea7…
568255ceb863
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13606 f3b2605a-c512-4ea7…
750e53f2f0b7
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13604 f3b2605a-c512-4ea7…
5d87c7dbf5f9
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13602 f3b2605a-c512-4ea7…
552426bb5667
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13601 f3b2605a-c512-4ea7…
58ae61a127a4
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
Made small change to how fix_species affects neighbor frequency
8850dd7fda4c
·athomps / Pierre de Buyl on Aug 3 2015, 21:00.
Remove unused ngroup calc
ac62bff7a47c
·athomps / Pierre de Buyl on Aug 3 2015, 21:00.
Slight tweaks to Kokkos Makefiles
7502cb922a84
·stamoor / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13587 f3b2605a-c512-4ea7…
589f30ac2759
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13586 f3b2605a-c512-4ea7…
cee01f8c0e0d
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13585 f3b2605a-c512-4ea7…
0e9e3374ae50
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13584 f3b2605a-c512-4ea7…
66420386ecf1
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13579 f3b2605a-c512-4ea7…
5005faebaa56
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13575 f3b2605a-c512-4ea7…
42abdd38ca96
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13574 f3b2605a-c512-4ea7…
3fb5477c48f4
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13573 f3b2605a-c512-4ea7…
7fc76899cad7
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13572 f3b2605a-c512-4ea7…
19494c09cb72
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13568 f3b2605a-c512-4ea7…
726be4030ef7
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
Fixing Kokkos memory bug
924bfb82d40a
·stamoor / Pierre de Buyl on Aug 3 2015, 21:00.
Fixing Kokkos bug with restarts
c94116d456fe
·stamoor / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13561 f3b2605a-c512-4ea7…
bc3e37d60a1a
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13558 f3b2605a-c512-4ea7…
aec4293f86e3
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13548 f3b2605a-c512-4ea7…
e90354699cc1
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13546 f3b2605a-c512-4ea7…
585fa9a18db6
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
Enabled Coulombic pair styles without energy_full
142eeee6c0f8
·athomps / Pierre de Buyl on Aug 3 2015, 21:00.
Only root process calls potential_date
7d9efc6191a9
·athomps / Pierre de Buyl on Aug 3 2015, 21:00.
Added protection against using charges without full_energy
05641513ebef
·athomps / Pierre de Buyl on Aug 3 2015, 21:00.
Changed algorithm for generating rotation axis
402bb1e07dc8
·athomps / Pierre de Buyl on Aug 3 2015, 21:00.
Fixed problem with image flags in attempt_molecule_insertion_full() and cleaned…
a761a0e63d5e
·athomps / Pierre de Buyl on Aug 3 2015, 21:00.
Added DATE reporting for parameter file
f827b4419dbe
·athomps / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13521 f3b2605a-c512-4ea7…
c4c4529f57f5
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13518 f3b2605a-c512-4ea7…
0321396c2293
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13515 f3b2605a-c512-4ea7…
ce6232ec2c8b
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13512 f3b2605a-c512-4ea7…
6fc20366a6fe
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13510 f3b2605a-c512-4ea7…
c91189c6607e
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13507 f3b2605a-c512-4ea7…
9c42231f9bd9
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13501 f3b2605a-c512-4ea7…
fd94a561b6d1
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
Fixing small Kokkos bug
058938a66384
·stamoor / Pierre de Buyl on Aug 3 2015, 21:00.
Small bug fix for Kokkos charmm pair styles
631a687ca1d1
·stamoor / Pierre de Buyl on Aug 3 2015, 21:00.
Fixing small bug in run-style verlet split
84cbab318a7d
·stamoor / Pierre de Buyl on Aug 3 2015, 21:00.
Fixing small bug in Kokkos pair styles with long-range Coulombics
7d9875fa64d3
·stamoor / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13484 f3b2605a-c512-4ea7…
4ef9f6d8908b
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
Added inside_nonperiodic()
d6c5599b6b10
·athomps / Pierre de Buyl on Aug 3 2015, 21:00.
Switched some inside() checks to inside_nonperiodic() checks
752cd2b3af41
·athomps / Pierre de Buyl on Aug 3 2015, 21:00.
Added error message to list
ec1d5ca08228
·athomps / Pierre de Buyl on Aug 3 2015, 21:00.
Added inside box check for fix_gcmc moves
81b488bcaafb
·athomps / Pierre de Buyl on Aug 3 2015, 21:00.
Added inside box check for fix_gcmc moves
c3413c7598bc
·athomps / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13472 f3b2605a-c512-4ea7…
abb7bae127dc
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13469 f3b2605a-c512-4ea7…
75873d10d4d4
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13467 f3b2605a-c512-4ea7…
2ec50126fccc
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13464 f3b2605a-c512-4ea7…
2d8a03f0941b
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13460 f3b2605a-c512-4ea7…
66ca8f74e4d9
·sjplimp / Pierre de Buyl on Aug 3 2015, 21:00.
Added intra_energy keyword
d783617a5595
·athomps / Pierre de Buyl on Aug 3 2015, 21:00.
Added group keywords to fix gcmc, fixed destructor
8096b8538777
·athomps / Pierre de Buyl on Aug 3 2015, 21:00.
Added group keywords to fix gcmc
5f8eb2862e29
·athomps / Pierre de Buyl on Aug 3 2015, 21:00.

lammps/srclammm-masterb0ffa46a3bb994e3fe0c157…

Aug 3 2015

lammps/src
lammm-masterb0ffa46a3bb994e3fe0c157…