sjplimp
|
cd078405e0
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14131 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-21 18:52:59 +00:00 |
|
sjplimp
|
c4af165bba
|
''
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14130 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-21 18:51:25 +00:00 |
|
sjplimp
|
ef82677cb2
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14129 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-21 18:51:09 +00:00 |
|
sjplimp
|
9a878cdd67
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-21 18:29:37 +00:00 |
|
sjplimp
|
ddfb996d8e
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14127 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-21 18:16:47 +00:00 |
|
sjplimp
|
b2c2e38ba3
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14126 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-21 18:09:53 +00:00 |
|
athomps
|
bf26b12668
|
Added vashishta to USER-OMP from Axel
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14125 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-21 03:57:35 +00:00 |
|
athomps
|
a38f111b9c
|
Added Vashishta potential
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14124 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-19 17:23:32 +00:00 |
|
athomps
|
45a91eaded
|
Added Xiong's name and cleaned up code
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14123 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-19 17:20:57 +00:00 |
|
athomps
|
7b16c435b6
|
Made molecule ID for molecule group to minus 1
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14122 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-19 17:19:32 +00:00 |
|
athomps
|
9025f65fad
|
Fixed MINe type
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14121 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-16 18:37:06 +00:00 |
|
athomps
|
ce62105570
|
Require type argument be zero when mol keyword used
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14120 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-15 21:02:03 +00:00 |
|
athomps
|
2675f362e1
|
Added acknowledgement for Xiong
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14119 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-15 21:00:58 +00:00 |
|
athomps
|
834731ddb4
|
Propoaged SW cutoff fix into similar code elsewhere
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14118 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-15 18:41:59 +00:00 |
|
athomps
|
c7170a4296
|
Added Vashishta potential
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14117 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-15 17:39:43 +00:00 |
|
athomps
|
edf114fd25
|
Changed DATA to DATE in headers
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14116 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-15 17:36:54 +00:00 |
|
athomps
|
aa6624c029
|
Protected against numerical overflow at cutoff
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14115 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-15 00:12:59 +00:00 |
|
sjplimp
|
d4870cd69f
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14114 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-14 23:20:20 +00:00 |
|
sjplimp
|
5f1eddedcf
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14113 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-14 23:19:54 +00:00 |
|
sjplimp
|
b437d74c75
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14112 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-13 20:07:00 +00:00 |
|
athomps
|
d357a2f44a
|
added tfac_insert keyword
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14111 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-13 16:11:13 +00:00 |
|
athomps
|
537e951c6d
|
added tfac_insert keyword and changed molecule insertion velocities PRNG
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14110 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-13 15:54:51 +00:00 |
|
athomps
|
39e8123a02
|
added tfac_insert keyword
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14109 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-13 15:53:41 +00:00 |
|
athomps
|
97878b1a9f
|
Added deprecated warning message to pair_style reax
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14107 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-07 20:20:48 +00:00 |
|
athomps
|
dcb68f4c97
|
Added deprecated warning message to pair_style reax
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14106 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-07 20:20:31 +00:00 |
|
athomps
|
da1e4e4f25
|
Added elastic constant example at finite temperature
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14105 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-05 21:02:38 +00:00 |
|
athomps
|
233eaea97d
|
Added elastic constant example at finite temperature
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14104 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-05 18:54:37 +00:00 |
|
athomps
|
ae2a7e2ebd
|
Made output prettier
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14103 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-05 18:54:02 +00:00 |
|
athomps
|
a1149efbfa
|
Added elastic constant example at finite temperature
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14102 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-05 18:52:13 +00:00 |
|
athomps
|
8a024fa64b
|
Added elastic constant example at finite temperature
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14101 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-05 18:49:23 +00:00 |
|
athomps
|
db4d01260b
|
Added elastic constant example at finite temperature
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14100 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-05 18:41:56 +00:00 |
|
athomps
|
46545bb308
|
Added elastic constant example at finite temperature
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14099 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-05 18:30:11 +00:00 |
|
athomps
|
eda7896364
|
Added elastic constant example at finite temperature
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14098 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-05 18:25:21 +00:00 |
|
athomps
|
f343a9f4a0
|
Added elastic constant example at finite temperature
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14097 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-05 18:22:14 +00:00 |
|
sjplimp
|
1bb4a26214
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14095 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-05 15:32:23 +00:00 |
|
sjplimp
|
bb48e47895
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14094 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-05 15:32:20 +00:00 |
|
sjplimp
|
c784292298
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14093 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-05 15:25:59 +00:00 |
|
sjplimp
|
5fa97f537a
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14092 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-05 15:25:46 +00:00 |
|
sjplimp
|
fa6ad89b99
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14091 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-05 15:20:06 +00:00 |
|
sjplimp
|
bee7ed920a
|
''
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14090 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-05 15:19:04 +00:00 |
|
sjplimp
|
0e398e5e65
|
''
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14089 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-05 15:18:49 +00:00 |
|
sjplimp
|
56ee1b670b
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14088 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-05 15:13:56 +00:00 |
|
sjplimp
|
6f038ab6d0
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14087 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-05 15:10:54 +00:00 |
|
sjplimp
|
3f3165af39
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14086 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-10-02 19:54:31 +00:00 |
|
athomps
|
e5514189ba
|
Fixed negligible error in Tersoff and COMB
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14085 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-09-30 23:00:44 +00:00 |
|
sjplimp
|
858eed2438
|
''
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14084 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-09-28 12:38:18 +00:00 |
|
sjplimp
|
89ea1e4ae6
|
''
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14083 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-09-28 12:38:11 +00:00 |
|
sjplimp
|
a6d7932ef4
|
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14082 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-09-28 12:37:59 +00:00 |
|
sjplimp
|
4d4d56175a
|
''
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14081 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-09-28 12:29:55 +00:00 |
|
sjplimp
|
615657899c
|
''
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14080 f3b2605a-c512-4ea7-a41b-209d697bcdaa
|
2015-09-28 12:29:43 +00:00 |