Diffusion lammps (lammm-master-deprecated) History

lammps/src
lammm-master-deprecated490b26ed064343b59043cdb…

Aug 5 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13840 f3b2605a-c512-4ea7…
cefaee3342f5
·sjplimp on Aug 5 2015, 02:43.

Aug 4 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13832 f3b2605a-c512-4ea7…
318aefa19c70
·sjplimp on Aug 4 2015, 22:56.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13831 f3b2605a-c512-4ea7…
2f7344a02a6b
·sjplimp on Aug 4 2015, 21:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13830 f3b2605a-c512-4ea7…
365d1190a2ca
·sjplimp on Aug 4 2015, 21:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13827 f3b2605a-c512-4ea7…
810a13413b28
·sjplimp on Aug 4 2015, 21:08.

Aug 2 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13815 f3b2605a-c512-4ea7…
7928a73f3d21
·athomps on Aug 2 2015, 01:06.
Added fix gcmc check to init()
354ee97d351e
·athomps on Aug 2 2015, 01:04.

Jul 31 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13810 f3b2605a-c512-4ea7…
7eb82ad620d9
·sjplimp on Jul 31 2015, 22:54.

Jul 29 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13770 f3b2605a-c512-4ea7…
d25b21dd7076
·sjplimp on Jul 29 2015, 00:00.

Jul 28 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13768 f3b2605a-c512-4ea7…
5d21c8861db7
·sjplimp on Jul 28 2015, 23:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13762 f3b2605a-c512-4ea7…
783fa298aa49
·sjplimp on Jul 28 2015, 23:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13761 f3b2605a-c512-4ea7…
73feacbec7a2
·sjplimp on Jul 28 2015, 23:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13757 f3b2605a-c512-4ea7…
737f6dc86b2c
·sjplimp on Jul 28 2015, 18:04.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13756 f3b2605a-c512-4ea7…
d89332f7d512
·sjplimp on Jul 28 2015, 17:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13748 f3b2605a-c512-4ea7…
f851538729da
·sjplimp on Jul 28 2015, 16:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13747 f3b2605a-c512-4ea7…
c0354ea1b50c
·sjplimp on Jul 28 2015, 00:05.

Jul 27 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13746 f3b2605a-c512-4ea7…
fc4c6b0856e6
·sjplimp on Jul 27 2015, 23:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13734 f3b2605a-c512-4ea7…
687247bee6e9
·sjplimp on Jul 27 2015, 20:07.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13731 f3b2605a-c512-4ea7…
218bd7cec7cb
·sjplimp on Jul 27 2015, 17:00.

Jul 25 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13723 f3b2605a-c512-4ea7…
2a05c2eaec21
·sjplimp on Jul 25 2015, 01:22.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13722 f3b2605a-c512-4ea7…
bbef0a814a8c
·sjplimp on Jul 25 2015, 01:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13718 f3b2605a-c512-4ea7…
8aa285efc021
·sjplimp on Jul 25 2015, 01:03.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13716 f3b2605a-c512-4ea7…
4af554621208
·sjplimp on Jul 25 2015, 00:51.

Jul 24 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13715 f3b2605a-c512-4ea7…
643f2bfa54e7
·sjplimp on Jul 24 2015, 19:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13712 f3b2605a-c512-4ea7…
052f644d130d
·sjplimp on Jul 24 2015, 19:57.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13708 f3b2605a-c512-4ea7…
e91bd244af3b
·sjplimp on Jul 24 2015, 17:50.

Jul 23 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13696 f3b2605a-c512-4ea7…
54ad69177c7d
·sjplimp on Jul 23 2015, 17:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13693 f3b2605a-c512-4ea7…
fcad65b19801
·sjplimp on Jul 23 2015, 16:56.

Jul 22 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13691 f3b2605a-c512-4ea7…
f89f6a08db2e
·sjplimp on Jul 22 2015, 18:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13688 f3b2605a-c512-4ea7…
261249d33e6c
·sjplimp on Jul 22 2015, 18:22.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13681 f3b2605a-c512-4ea7…
92b5c350d82d
·sjplimp on Jul 22 2015, 17:49.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13680 f3b2605a-c512-4ea7…
ca5d4d8f27b8
·sjplimp on Jul 22 2015, 17:49.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13677 f3b2605a-c512-4ea7…
50e9b17a6b0b
·sjplimp on Jul 22 2015, 17:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13673 f3b2605a-c512-4ea7…
60cd71620a54
·sjplimp on Jul 22 2015, 17:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13672 f3b2605a-c512-4ea7…
b4a8019ee8da
·sjplimp on Jul 22 2015, 17:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13671 f3b2605a-c512-4ea7…
8ee843d1bd0a
·sjplimp on Jul 22 2015, 16:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13669 f3b2605a-c512-4ea7…
f9b75020798f
·sjplimp on Jul 22 2015, 16:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13668 f3b2605a-c512-4ea7…
1ddb1601f306
·sjplimp on Jul 22 2015, 01:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13666 f3b2605a-c512-4ea7…
354a802bb233
·sjplimp on Jul 22 2015, 01:20.

Jul 21 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13653 f3b2605a-c512-4ea7…
62d15abd2a1c
·sjplimp on Jul 21 2015, 16:14.

Jul 18 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13652 f3b2605a-c512-4ea7…
75a9c7349230
·sjplimp on Jul 18 2015, 02:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13648 f3b2605a-c512-4ea7…
16337014b4a5
·sjplimp on Jul 18 2015, 02:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13644 f3b2605a-c512-4ea7…
11de055c0f9d
·sjplimp on Jul 18 2015, 01:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13643 f3b2605a-c512-4ea7…
1ebb654b4d67
·sjplimp on Jul 18 2015, 01:20.

Jul 17 2015

Fixing warning
6d665f1860ee
·stamoor on Jul 17 2015, 20:15.
Slight tweak to Kokkos Phi Makefile
d9ad60f61147
·stamoor on Jul 17 2015, 20:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13640 f3b2605a-c512-4ea7…
dd474fbc8af8
·sjplimp on Jul 17 2015, 19:25.
Slight tweak to Kokkos pair styles to use texture cache memory
9a1737eca086
·stamoor on Jul 17 2015, 18:40.
Slight tweaks to Kokkos CUDA makefile
0b8bad3e10f2
·stamoor on Jul 17 2015, 18:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13631 f3b2605a-c512-4ea7…
b35f4e52db88
·sjplimp on Jul 17 2015, 17:04.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13627 f3b2605a-c512-4ea7…
3341c4de6bbd
·sjplimp on Jul 17 2015, 01:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13624 f3b2605a-c512-4ea7…
9d8b08fc09f6
·sjplimp on Jul 17 2015, 00:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13623 f3b2605a-c512-4ea7…
528840660078
·sjplimp on Jul 17 2015, 00:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13618 f3b2605a-c512-4ea7…
a2c475b1a2fe
·sjplimp on Jul 17 2015, 00:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13616 f3b2605a-c512-4ea7…
6295fc690850
·sjplimp on Jul 17 2015, 00:30.

Jul 16 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13609 f3b2605a-c512-4ea7…
5a21de608ebc
·sjplimp on Jul 16 2015, 23:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13606 f3b2605a-c512-4ea7…
4c5985d7e824
·sjplimp on Jul 16 2015, 17:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13604 f3b2605a-c512-4ea7…
eceb8f15cf21
·sjplimp on Jul 16 2015, 00:56.

Jul 15 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13602 f3b2605a-c512-4ea7…
d23e550aab1a
·sjplimp on Jul 15 2015, 23:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13601 f3b2605a-c512-4ea7…
f7bc08d83d39
·sjplimp on Jul 15 2015, 23:29.
Made small change to how fix_species affects neighbor frequency
062a3575b6c3
·athomps on Jul 15 2015, 18:53.
Remove unused ngroup calc
dba2abcba35b
·athomps on Jul 15 2015, 18:36.

Jul 14 2015

Slight tweaks to Kokkos Makefiles
f393d0160a66
·stamoor on Jul 14 2015, 23:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13587 f3b2605a-c512-4ea7…
e60fcd98f503
·sjplimp on Jul 14 2015, 22:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13586 f3b2605a-c512-4ea7…
fb119579ef6f
·sjplimp on Jul 14 2015, 22:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13585 f3b2605a-c512-4ea7…
639c39f38a15
·sjplimp on Jul 14 2015, 22:04.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13584 f3b2605a-c512-4ea7…
7c2f518e8d0d
·sjplimp on Jul 14 2015, 22:02.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13579 f3b2605a-c512-4ea7…
ca4fa347b359
·sjplimp on Jul 14 2015, 19:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13575 f3b2605a-c512-4ea7…
dd450680a851
·sjplimp on Jul 14 2015, 19:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13574 f3b2605a-c512-4ea7…
ba5cad5641c2
·sjplimp on Jul 14 2015, 19:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13573 f3b2605a-c512-4ea7…
233c6521dc3a
·sjplimp on Jul 14 2015, 19:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13572 f3b2605a-c512-4ea7…
476ff262c754
·sjplimp on Jul 14 2015, 18:00.

Jul 13 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13568 f3b2605a-c512-4ea7…
ac35671f8a49
·sjplimp on Jul 13 2015, 17:00.

Jul 10 2015

Fixing Kokkos memory bug
c210fae87d70
·stamoor on Jul 10 2015, 00:46.
Fixing Kokkos bug with restarts
42ef87755e82
·stamoor on Jul 10 2015, 00:44.

Jul 9 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13561 f3b2605a-c512-4ea7…
5501c07f732f
·sjplimp on Jul 9 2015, 00:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13558 f3b2605a-c512-4ea7…
2e1c8137c4fe
·sjplimp on Jul 9 2015, 00:23.

Jul 8 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13548 f3b2605a-c512-4ea7…
7a4fbd49f87d
·sjplimp on Jul 8 2015, 17:03.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13546 f3b2605a-c512-4ea7…
d434e66be22a
·sjplimp on Jul 8 2015, 16:50.
Enabled Coulombic pair styles without energy_full
e52b320061bd
·athomps on Jul 8 2015, 06:06.
Only root process calls potential_date
0210c456536c
·athomps on Jul 8 2015, 06:04.
Added protection against using charges without full_energy
c368b5f9889d
·athomps on Jul 8 2015, 01:50.

Jul 7 2015

Changed algorithm for generating rotation axis
8749c91a3ce8
·athomps on Jul 7 2015, 20:41.
Fixed problem with image flags in attempt_molecule_insertion_full() and cleaned…
f03b5a8036fa
·athomps on Jul 7 2015, 18:43.

Jul 6 2015

Added DATE reporting for parameter file
217fdbc36076
·athomps on Jul 6 2015, 19:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13521 f3b2605a-c512-4ea7…
5622ae88b41f
·sjplimp on Jul 6 2015, 16:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13518 f3b2605a-c512-4ea7…
a60a08840398
·sjplimp on Jul 6 2015, 16:04.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13515 f3b2605a-c512-4ea7…
9d3ab0f52f62
·sjplimp on Jul 6 2015, 15:53.

Jul 3 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13512 f3b2605a-c512-4ea7…
ccfea31ae52b
·sjplimp on Jul 3 2015, 01:10.

Jul 2 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13510 f3b2605a-c512-4ea7…
050244f229df
·sjplimp on Jul 2 2015, 16:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13507 f3b2605a-c512-4ea7…
5db1b37955a6
·sjplimp on Jul 2 2015, 02:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13501 f3b2605a-c512-4ea7…
65f55e702397
·sjplimp on Jul 2 2015, 02:39.

Jul 1 2015

Fixing small Kokkos bug
a67cb068562f
·stamoor on Jul 1 2015, 23:52.
Small bug fix for Kokkos charmm pair styles
fe0bf706ece1
·stamoor on Jul 1 2015, 21:56.
Fixing small bug in run-style verlet split
afd2f6bde817
·stamoor on Jul 1 2015, 17:54.
Fixing small bug in Kokkos pair styles with long-range Coulombics
721b312498d6
·stamoor on Jul 1 2015, 17:51.

May 21 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13484 f3b2605a-c512-4ea7…
43d738e168b2
·sjplimp on May 21 2015, 21:10.

May 18 2015

Added inside_nonperiodic()
f110488db006
·athomps on May 18 2015, 23:08.
Switched some inside() checks to inside_nonperiodic() checks
d9be5d7d63d3
·athomps on May 18 2015, 23:06.
Added error message to list
bff094784db4
·athomps on May 18 2015, 18:04.