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320ba4ef8f
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more changes to USER-MISC
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2021-01-21 15:44:08 -07:00 |
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5a51c74b9d
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vtally change to fix smd
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2021-01-21 15:41:06 -07:00 |
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54e3ee74a2
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changes to USER-MISC package
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2021-01-21 15:37:18 -07:00 |
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b5525a19bc
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changes to files with THERMO_ENERGY mask in standard packages
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2021-01-21 13:56:50 -07:00 |
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be1fb12bfa
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convert use of per-style vec3_*() functions to use MathExtra:: functions
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2021-01-15 16:13:13 -05:00 |
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cbca189490
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Merge branch 'master' into tersoff-shift
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2021-01-11 04:30:11 -05:00 |
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e42845799d
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more consistent formatting for conditionals and loops
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2021-01-05 15:42:35 -05:00 |
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47b4504917
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Merge branch 'master' into tersoff-shift
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2021-01-04 22:19:59 -05:00 |
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6688e2fd6e
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Changed if( to if (
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2020-12-31 19:01:35 -07:00 |
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51a20175c9
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more code formatting consistency changes for loops and conditionals
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2020-12-30 09:47:45 -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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7b4d4e41b8
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merge tersoff/shift as an option of orginal Tersoff Potential
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2020-12-24 16:26:36 +02:00 |
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151110f07f
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refactor constant vs define in edip pair styles
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2020-12-18 22:55:15 -05:00 |
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9f206b471e
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Merge branch 'master' into collected-small-changes
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2020-12-18 22:41:27 -05:00 |
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3641428d27
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Merge pull request #2502 from jdevemy/master
Fix invalid result when dihedral quadratic angle is > pi or < -pi
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2020-12-18 14:38:04 -05:00 |
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3e2b004d21
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more use of constexpr
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2020-12-17 16:01:26 -05:00 |
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a01b376391
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Energy conservation for non-zero lambda3
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2020-12-17 03:31:59 +02:00 |
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f434797a3e
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Modify Tersoff/shift as a derived class
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2020-12-16 16:30:16 +02:00 |
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73db18d3ed
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add citation information
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2020-12-10 15:33:24 +02:00 |
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946dae583b
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add author information
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2020-12-10 15:18:56 +02:00 |
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6078d22405
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Shifted Tersoff Potential
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2020-12-10 14:02:31 +02:00 |
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36c2947de7
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silence compiler warnings
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2020-12-07 01:06:47 -05:00 |
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5a00d3c157
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Fix invalid result when dihedral quadratic angle is > pi or < -pi
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2020-12-01 09:21:12 +01:00 |
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0f27ba34b0
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whitespace
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2020-11-30 13:33:09 -05:00 |
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76f43f4c57
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Merge pull request #2440 from evoyiatzis/bond_gaussian
Bond & angle styles gaussian
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2020-11-29 10:13:51 -05:00 |
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5e75b8d58c
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Merge branch 'master' into jstewa-snl/master
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2020-11-25 16:04:38 -05:00 |
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6932426973
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update src/USER-MISC/README
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2020-11-25 15:59:08 -05:00 |
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abdfcceab2
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Merge branch 'master' into bond_gaussian
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2020-11-25 15:50:54 -05:00 |
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5691ec3dfd
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insure cvflag is zero, other tweaks
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2020-11-18 15:05:11 -07:00 |
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0876684780
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energy/virial flags with CENTROID enum
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2020-11-18 12:17:14 -07:00 |
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a04faff152
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Merge branch 'master' of github.com:lammps/lammps
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2020-11-05 10:03:06 -07:00 |
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cafe9c3500
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source files for gaussian angle_style
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2020-11-02 14:52:46 +01:00 |
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6c020f4cfa
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Update bond_gaussian.cpp
removing "this->" construct from source file
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2020-10-23 09:20:59 +02:00 |
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91bf2e5983
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Update README
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2020-10-22 11:32:44 +02:00 |
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4e728ca81f
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Update bond_gaussian.cpp
deleting white spaces
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2020-10-22 11:07:20 +02:00 |
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6df9006689
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Add files via upload
source code for gaussian bond_style
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2020-10-22 10:54:43 +02:00 |
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f8bf4989f4
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update URLs from http:// to https://
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2020-10-21 17:04:23 -04:00 |
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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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cc90596183
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fix link to documentation
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2020-10-21 10:49:01 -04:00 |
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7fdf70c960
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Merge branch 'master' of github.com:lammps/lammps
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2020-10-13 19:10:32 -06:00 |
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2ea61b21f8
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fix small memory leaks
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2020-10-01 18:11:19 -04:00 |
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cbc529881c
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support hybrid atom styles in in fix propel/self
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2020-09-30 14:07:46 -04:00 |
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7e68746ebe
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use safe reader function
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2020-09-25 22:16:19 -04:00 |
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172bb6050a
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use safe read function
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2020-09-25 22:08:22 -04:00 |
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9b28280668
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Cleaned up the #include statements section
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2020-09-24 19:27:53 -06:00 |
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f40ae1ad0c
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Replacing pow() with MathSpecial::square()
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2020-09-24 18:05:13 -06:00 |
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476d58628f
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Initializing variables to (nullptr)
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2020-09-24 17:40:54 -06:00 |
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01e4f51455
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Changing atof() to utils::numeric()
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2020-09-24 17:25:59 -06:00 |
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ff3637c88c
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Added the line: delete [] energy_coh_in
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2020-09-24 16:58:14 -06:00 |
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808b8bf431
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Merge branch 'master' of github.com:lammps/lammps
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2020-09-24 16:12:50 -06:00 |
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