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d3392dba45
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update tester some more
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2020-07-14 13:59:55 -04:00 |
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fd2b5b1cd8
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switch completed section from EXPECT to ASSERT
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2020-07-14 12:45:54 -04:00 |
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d6e6b840e9
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update body/nparticle tester
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2020-07-14 11:06:06 -04:00 |
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18928c6602
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start writing tester for body/nparticle
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2020-07-14 08:11:18 -04:00 |
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ea1d447703
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fix bug in tester for atom style tri
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2020-07-13 21:49:18 -04:00 |
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00413ae956
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add test for atom style tri
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2020-07-12 16:32:59 -04:00 |
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8f95b4a5d9
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add tests for deleted bonds and angles to bond/angle tests suites
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2020-07-12 15:48:21 -04:00 |
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a28db101cc
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add checks for atom style bond with newton off. add basic test for atom style angle
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2020-07-10 17:44:05 -04:00 |
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a402de41b7
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finalize atom style tester changes
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2020-07-10 10:47:30 -04:00 |
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772d75a63a
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update tester for renaming reset_ids to reset_atom_ids
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2020-07-10 10:29:55 -04:00 |
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df63d4147d
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Merge branch 'reset-molecules' into write-bonus-data
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2020-07-10 10:25:08 -04:00 |
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8102045fdb
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add initial implementation for atom style bond tester
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2020-07-10 10:24:54 -04:00 |
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ab683a03ad
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start tester for atom style hybrid full ellipsoid
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2020-07-10 00:12:57 -04:00 |
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f71513f483
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update for atom style ellipsoid tester
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2020-07-09 11:56:07 -04:00 |
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cc9df9a76d
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add test module for atom style line
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2020-07-09 11:55:52 -04:00 |
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4da8ec39de
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complete testing ellipsoids short of having restart support.
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2020-07-08 21:13:28 -04:00 |
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d6665aba99
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refactor tester
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2020-07-08 10:08:00 -04:00 |
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94e9b3bc82
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rename reset_ids command to reset_atom_ids
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2020-07-07 13:32:00 -04:00 |
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7e140399db
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add (initial) testing for ellipsoid atom style
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2020-07-07 12:36:17 -04:00 |
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d37e943e8d
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refactor tester
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2020-07-06 14:12:50 -04:00 |
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ca24cd5006
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simplify tests for failures with a varyadic macro
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2020-07-05 12:48:52 -04:00 |
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0b298c7193
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add tests for supported and unsupported unit conversion when opening potentials
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2020-07-02 23:07:01 -04:00 |
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3a014a5430
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add unit tests for some file operations
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2020-07-02 14:50:56 -04:00 |
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5c08ce0818
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nb3b/harmonic parameters are in real units
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2020-06-29 13:28:32 -04:00 |
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435ac9078b
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add unit conversion to pair styles eim, gw, gw/zbl, and nb3b/harmonic
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2020-06-28 16:49:23 -04:00 |
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4824c4608c
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add unit conversion checking support to Force::open_potential()
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2020-06-25 12:22:29 -04:00 |
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3c9b40a31a
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add transparent unit conversion for most of the EAM family of potentials
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2020-06-25 11:13:52 -04:00 |
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22d8d0d0b0
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add tests for potential file reader and untils functions
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2020-06-25 08:00:04 -04:00 |
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2acf71c3e2
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add unit conversion to table pair style
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2020-06-25 04:31:34 -04:00 |
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c6b16577f6
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add conversion to pair styles tersoff/zbl and tersoff/zbl/omp
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2020-06-25 03:46:15 -04:00 |
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43276c8387
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add unit conversion to vashishta pair style
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2020-06-24 22:06:24 -04:00 |
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85097df2ba
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add unit conversion to pair style tersoff/mod and tersoff/mod/c
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2020-06-24 21:23:40 -04:00 |
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00332d299b
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add unit conversion support to pair style tersoff/table
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2020-06-24 21:05:00 -04:00 |
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361f636700
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add support for passing arguments via environment variable
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2020-06-24 20:29:23 -04:00 |
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aa94d3f723
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Merge branch 'master' into pair-potential-file-unit-convert
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2020-06-24 20:24:51 -04:00 |
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2af8d7a751
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add argument passing via TEST_ARGS environment variable to all tests with an explicit main function
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2020-06-24 10:17:23 -04:00 |
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1e8ea3af82
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add comparisons for pressure (atm vs. bar)
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2020-06-23 00:10:46 -04:00 |
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bfef46539f
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add unit conversion test for pair style sw
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2020-06-22 23:29:33 -04:00 |
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a7436a7b76
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adjust lj/cut parameters to produce smaller forces
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2020-06-22 23:28:58 -04:00 |
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ae0957bd61
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use atom id instead of local index to test per-atom data
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2020-06-22 22:19:55 -04:00 |
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b29b3d52f6
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initial implementation of automated unit conversion.
this includes a tester program and implementation into pair style tersoff
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2020-06-22 17:57:05 -04:00 |
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ab42123005
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add test for atom style sphere
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2020-06-21 16:56:04 -04:00 |
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dfe860c4bb
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update coding style
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2020-06-18 13:34:34 -04:00 |
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5e597e551b
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avoid false positive
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2020-06-18 12:39:40 -04:00 |
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b0842a3fea
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tell GNU gcc to not try to optimize the atom style tester tool
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2020-06-18 11:45:56 -04:00 |
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753eb9b76d
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add tests for atom style charge
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2020-06-17 21:17:42 -04:00 |
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a200756d7b
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remove a bunch of redundant tests and add checking for restarts and consecutive atom ids
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2020-06-17 20:40:04 -04:00 |
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5bb9700124
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ensure that a LAMMPS instance could be created and the eim pair style is available
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2020-06-17 18:12:12 -04:00 |
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afe874ac5b
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add test for using write_data/read_data for atom style atomic
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2020-06-17 18:11:45 -04:00 |
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27f1ce71fd
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now also check all 'xxx_flag' variables
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2020-06-17 07:42:50 -04:00 |
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