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d4ea5ca49e
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more clang-tidy fixes after re-running it with added settings
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2022-05-14 07:18:05 -04:00 |
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61f28aea36
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add "rewind()" member function to Text and Potential file reader classes
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2022-03-23 14:44:50 -04:00 |
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c19d37990d
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reformat with clang-format
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2021-07-20 18:31:52 -04:00 |
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09c19a936b
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update URLs in source code and manual
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2021-05-24 14:18:20 -04:00 |
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d8291eea7b
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Merge branch 'master' into prepare-clang-format
# Conflicts:
# src/MOLECULE/bond_fene.h
# src/MOLECULE/bond_fene_expand.h
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2021-05-11 21:49:48 -04:00 |
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d1941392d3
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disable clang-format for all existing .cpp files (for now)
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2021-05-05 23:53:38 -04:00 |
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22e93468d6
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simplify code by appling varargs messages and warnings
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2021-05-05 18:19:12 -04:00 |
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e9e0bb71b6
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Use varargs version of Error:all() and Error::one() where applicable
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2021-04-25 21:30:51 -04:00 |
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d2cdb318ab
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apply new logmesg() overload to a bunch of cases.
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2021-04-21 23:38:45 -04:00 |
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0870a56093
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expand exception message to include cause of file open failure
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2021-04-15 11:57:48 -04:00 |
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c3249625ab
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Add addtional constructor to PotentialFileReader
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2021-03-10 09:16:46 -05:00 |
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382ade15fe
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more consistent formatting of for/while loops and if statements
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2020-12-30 09:09:08 -05:00 |
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adf74b3a22
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use https://lammps.sandia.gov based URLs consistently
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2020-10-21 16:45:30 -04:00 |
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29a7d598ac
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update formatting style to be more consistent
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2020-09-21 02:04:58 -04:00 |
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9a6dfbc0ee
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add some cross referencing
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2020-09-18 13:45:33 -04:00 |
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a4a1f7e848
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more IWYU cleanup
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2020-09-02 23:49:17 -04:00 |
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c84033677c
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add documentation for potential file reader
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2020-08-31 07:31:28 -04:00 |
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ec057e313f
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add warning message when unit conversion is enabled
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2020-06-25 10:46:52 -04:00 |
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6420ccafa2
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fix bugs with not properly detecting/selecting unit conversions
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2020-06-25 10:31:09 -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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2e844971a8
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extend PotentialFileReader class to check for a UNITS: tag and error out if it doesn't match the current units
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2020-06-14 06:23:49 -04:00 |
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9945f73743
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fix spelling in a few more files
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2020-06-11 01:05:58 -04:00 |
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fa07f64b81
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add missing linefeed
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2020-06-09 15:06:13 -04:00 |
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2203e1e9e5
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Change next_dvector(n, buf) to next_dvector(buf, n)
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2020-06-05 16:40:14 -04:00 |
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7df387f7d5
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Merge remote-tracking branch 'origin/master' into refactor-table-reading
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2020-06-05 12:09:57 -04:00 |
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54a8b4e08b
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more local buffers removed and file error status added.
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2020-06-04 20:14:19 -04:00 |
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4a6d3bc0e0
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Move common potentials opening code to utils
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2020-06-04 17:18:28 -04:00 |
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62ee8d41f3
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get rid of local buffers and snprinf()
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2020-06-04 16:41:24 -04:00 |
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8689b31bca
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Add convenience method next_values
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2020-06-04 16:27:27 -04:00 |
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57821c7bea
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Add missing error message
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2020-06-04 16:26:22 -04:00 |
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34ff7aa1fe
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Add convenience functions to PotentialFileReader
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2020-06-04 11:18:33 -04:00 |
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5688fd41bb
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Remove trailing whitespace
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2020-06-02 16:43:41 -04:00 |
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d478ad2ccb
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Refactor PotentialFileReader
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2020-06-02 15:11:30 -04:00 |
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24a0933e2a
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Refactor PotentialFileReader
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2020-06-02 14:18:11 -04:00 |
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8b61b12921
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Add missing initialization of potential_name
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2020-06-01 13:53:36 -04:00 |
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49a40f5006
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Update pair eam
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2020-05-28 11:35:24 -04:00 |
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68e2c0bca8
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Correct next_line in PotentialFileReader
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2020-05-27 13:03:17 -04:00 |
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e01e72cc8e
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Formatting
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2020-05-26 20:29:09 -04:00 |
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5e4ce8d03c
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Use Error::one in PotentialFileReader
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2020-05-26 20:27:16 -04:00 |
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c302c0bca2
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Add PotentialFileReader and use it in PairSW
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2020-05-26 20:10:48 -04:00 |
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