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2028c68bec
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remove unused imports
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2022-06-14 10:45:05 -04:00 |
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ef48fd2d9c
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remove unused imports
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2022-06-12 23:36:43 -04:00 |
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db2d5b863d
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Improved MPI portability and added reference log files
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2022-05-16 08:22:45 -06:00 |
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ee8a8b6cd0
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Added Python wrapper that handles rotations to and from LAMMPS frame
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2022-05-15 17:43:18 -06:00 |
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bb8e953fb5
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add support for wildcards in variable vectors
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2022-04-25 15:43:08 -06:00 |
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d26f953a0a
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Made the example match the benchmark of Kluge et al.
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2022-02-25 15:25:47 -07:00 |
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313d850dd2
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Created a Born matrix example for silicon
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2022-02-21 19:38:28 -07:00 |
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e4027ba98a
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update example input files
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2022-02-20 06:35:35 -05:00 |
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4ca5441cf1
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Updated documentation
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2022-02-19 19:25:02 -07:00 |
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61377f41ad
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Replaced Si.sw with a simlink to potentials dir
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2022-02-19 18:01:37 -07:00 |
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f1f2cebf98
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Rearranged the directory tree for ELASTIC_T and BORN_MATRIX
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2022-02-19 17:59:27 -07:00 |
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33aea05080
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adjust example for changes in when reset_timestep may be used
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2021-12-12 10:01:52 -05:00 |
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f72013c5db
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Update displace.mod
The pressure tensor was not computed as time-averaged quantity but as instantaneous value
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2021-03-14 12:36:46 +01:00 |
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da1e4e4f25
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Added elastic constant example at finite temperature
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14105 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-05 21:02:38 +00:00 |
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233eaea97d
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Added elastic constant example at finite temperature
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14104 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-05 18:54:37 +00:00 |
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a1149efbfa
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Added elastic constant example at finite temperature
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14102 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-05 18:52:13 +00:00 |
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8a024fa64b
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Added elastic constant example at finite temperature
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14101 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-05 18:49:23 +00:00 |
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db4d01260b
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Added elastic constant example at finite temperature
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14100 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-05 18:41:56 +00:00 |
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46545bb308
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Added elastic constant example at finite temperature
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14099 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-05 18:30:11 +00:00 |
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f343a9f4a0
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Added elastic constant example at finite temperature
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14097 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-05 18:22:14 +00:00 |
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