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dc1bc8a8cf
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Merge branch 'lammps:develop' into cg-dna
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2024-04-05 11:40:16 +01:00 |
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ceec24d50b
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Adding hybrid support to BPM, more doc pages
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2024-04-04 09:42:10 -06:00 |
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972d412186
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flag false positives
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2024-04-03 20:53:44 -04:00 |
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ef3d255a4b
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Merge branch 'develop' into pace-mliap
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2024-04-03 20:49:29 -04:00 |
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c0abefeacb
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update links in manual to jacobi3() docs
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2024-04-02 23:53:25 -04:00 |
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0809d8b722
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Updated documentation about METADATA in the uf3 lammps pot files
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2024-04-02 13:17:13 -04:00 |
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ed0cff92de
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Merge remote-tracking branch 'github/develop' into general-triclinic
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2024-04-02 09:41:21 -04:00 |
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08db64c27f
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More updates for oxidation, more doc pages
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2024-03-31 21:40:34 -06:00 |
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d73aec6c21
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add OpenMP version of angle style cosine/squared/restricted
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2024-03-29 21:31:40 -04:00 |
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b712e46497
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doc fixes
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2024-03-29 21:00:51 -04:00 |
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7ea0dc3996
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Adding more oxidation features + doc pages
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2024-03-29 19:00:14 -06:00 |
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9c85e5a99b
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fix bug in option arg parsing of fix ave/correlate, also update doc page for fix ave/correlate/long
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2024-03-29 14:27:43 -06:00 |
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b8fc8e5e63
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Update dihedral_style.rst
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2024-03-29 11:18:11 +01:00 |
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a9deb029e3
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Add files via upload
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2024-03-29 11:15:36 +01:00 |
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996f5b9d52
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fix ttm doc formatting fixes
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2024-03-29 02:50:30 -04:00 |
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a6e5c8b981
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update more files and docs for .uf3 potential file extension
also remove redundant files
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2024-03-28 17:32:07 -04:00 |
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eb89c7a392
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examples folder was moved
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2024-03-28 17:01:37 -04:00 |
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010a4c076b
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Prototyping oxidation
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2024-03-28 11:31:21 -06:00 |
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2a8a7f6365
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Update angle_style.rst
Include link to rst file of the restricted angle potential
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2024-03-28 15:47:37 +01:00 |
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0893a2d0a0
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Add files via upload
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2024-03-28 15:43:01 +01:00 |
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fda433a7ee
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reformat and fix spelling and related issues
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2024-03-27 06:53:03 -04:00 |
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cd154abe73
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add "Incorrect format in ... section of data file" to Error_details and url
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2024-03-26 23:56:38 -04:00 |
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b01efd96a5
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add missing link and expand docs for Unknown identifier in data file error
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2024-03-26 23:27:44 -04:00 |
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ff39a03e83
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Removed trailing whitespaces
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2024-03-26 13:14:32 -04:00 |
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4e95db1bb7
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Added uf3 details to Commands_pair, Packages_details and Packages_list
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2024-03-26 12:34:29 -04:00 |
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b2809996b8
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fixed trailing whitespaces
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2024-03-25 17:45:06 -04:00 |
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d55f750dc6
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Fixed typos in the UF3 equation
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2024-03-25 15:17:43 -04:00 |
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f3391199e7
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correct formatting of tables
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2024-03-25 14:26:39 -04:00 |
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923e251540
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Added documentation for ml-uf3
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2024-03-25 12:10:01 -04:00 |
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20cfebd6f8
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Merge branch 'pace-mliap' of github.com:jmgoff/lammps_compute_PACE into pace-mliap
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2024-03-22 16:51:59 -06:00 |
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414d9608f8
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fixed whitespace in docs
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2024-03-22 16:51:27 -06:00 |
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cb1e18256e
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Merge branch 'lammps:develop' into pace-mliap
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2024-03-22 16:35:31 -06:00 |
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36358d5b14
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Merge branch 'lammps:develop' into pace-mliap
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2024-03-21 09:32:33 -06:00 |
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b5d769bbbf
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Revert "Began CGDNA Howto"
This reverts commit c4b96704b27743c4e6b01166ea6d7e7a16480692.
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2024-03-20 16:23:17 +00:00 |
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bc436dad3a
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Added example directory
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2024-03-20 16:23:17 +00:00 |
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eee23b45c9
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Began CGDNA Howto
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2024-03-20 16:23:17 +00:00 |
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d123cd5440
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fix typo
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2024-03-20 04:57:03 -04:00 |
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1bdcf7e42e
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Merge branch 'develop' into general-triclinic
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2024-03-17 15:56:38 -04:00 |
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505f7b3cb4
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add 'append' keyword for appending to output file
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2024-03-17 15:34:32 -04:00 |
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d97c7fffac
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spelling
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2024-03-17 15:13:13 -04:00 |
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1bbe87d9d2
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add 'append' keyword for appending to output file
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2024-03-17 15:13:04 -04:00 |
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fce15bf66f
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add support for appending to files to fix ave/time
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2024-03-17 01:17:01 -04:00 |
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207a14f351
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Merge pull request #4101 from jtclemm/small-patches
Small patches to multi neighbor and fix deform/pressure
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2024-03-15 01:39:04 -04:00 |
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aa7e2da33d
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Misc small patches
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2024-03-13 15:04:19 -06:00 |
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af5c8bcd22
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Merge branch 'develop' into pace-mliap
# Conflicts:
# src/ML-IAP/compute_mliap.cpp
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2024-03-12 09:05:46 -04:00 |
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d0d4cf9ad0
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add DOIs for recent stable releases
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2024-03-11 22:40:21 -04:00 |
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b23c586236
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mliap ace docs and example logs
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2024-03-11 13:34:29 -06:00 |
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01d412bdbf
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Merge branch 'develop' into general-triclinic
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2024-03-08 21:32:01 -05:00 |
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8819275824
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Merge pull request #3989 from evoyiatzis/patch-8
Addition of conical geometry in fix indent
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2024-03-08 12:10:52 -05:00 |
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ba5c1a4ac3
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minor modifications in fix_indent.rst
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2024-03-08 15:35:48 +01:00 |
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