Alex Selimov
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e6d7741060
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Working changes to io.f90
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5 years ago |
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Alex Selimov
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acd902db4b
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working changes to bcc files
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5 years ago |
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Alex Selimov
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f6c0cf93f2
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Final changes fixing remesh group
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5 years ago |
Alex Selimov
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babf4e176d
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Current working changes
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5 years ago |
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Alex Selimov
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9a484c86f6
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Add wedge group shape option to opt_group.f90, update the documentation, and add the relevant functions to functions.f90
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5 years ago |
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Alex Selimov
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975e2b3fc1
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Fix to numbering on interpolated atoms
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5 years ago |
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Alex Selimov
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a9b266d757
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Added sbox_ori option for when reading in restart files
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5 years ago |
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Alex Selimov
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4868a30e57
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Added read_pycac subroutine
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5 years ago |
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Alex Selimov
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697dd7fa83
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Change minimium element size in max remesh
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5 years ago |
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Alex Selimov
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de1d230b87
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Remove sub_box_arrary_bd as it isn't needed
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5 years ago |
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Alex Selimov
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c11a1bb463
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Added rectangular vacancy disloop
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5 years ago |
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Alex Selimov
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fc20350748
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vacancydisloop option added
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5 years ago |
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Alex Selimov
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44a9dbaead
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Add tol variable replacing lim_zero as a tolerance for real checks
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5 years ago |
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Alex Selimov
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6642c2a1b7
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FIx to opt-orient command due to difference with how boundary command worked
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5 years ago |
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Alex Selimov
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0ad06a2d6b
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Working changes to boundary command
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5 years ago |
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Alex Selimov
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d2f3c9e3ec
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Add check for orientation to make sure it's right handed and orthogonal
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5 years ago |
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Alex Selimov
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9038242b98
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Changes to how the io works for writing restart and merging
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5 years ago |
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Alex Selimov
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1a30968dca
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Added the rand element code
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5 years ago |
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Alex Selimov
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27faeee5ea
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Working code which picks random position slightly outside element bounds
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5 years ago |
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Alex
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d670bb5083
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Working remesh command and remesh max command
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5 years ago |
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Alex
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5b925122df
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Added verbosity to remesh command
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5 years ago |
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Alex
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09c2e63155
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Working element refinement
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5 years ago |
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Alex
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56994393a0
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Fix to bug causing incorrrect positions. Remeshing algorithm works
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5 years ago |
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Alex Selimov
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c698c31ede
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First version that doesn't crash, incorrectly places elements and atoms
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5 years ago |
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Alex
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20755270a4
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Debugging version of code
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5 years ago |
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Alex
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d0b6c595f0
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Fix to outputting single element
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5 years ago |
|
Alex
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6a0d441bd0
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Fix to disloop code
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5 years ago |
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Alex Selimov
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1b82d98a4f
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Added right hand rule check to orientation in mode_create
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5 years ago |
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Alex Selimov
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9702ec85e9
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Added set max esize when reading in specific files
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5 years ago |
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Alex Selimov
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98d00ea431
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Fix problems with mode_create.f90
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5 years ago |
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Alex Selimov
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b97986bf04
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change box definition
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5 years ago |
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Alex Selimov
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3aed6966da
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Added possibility to select random number within range
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5 years ago |
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Alex Selimov
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a1a506e17d
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Added delete option with delete overlap command
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5 years ago |
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Alex Selimov
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92671ea0b2
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Fix to mode merge box definition
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5 years ago |
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Alex Selimov
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e9521f43f3
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Fix to formatting and cell neighbor loop algorithm
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5 years ago |
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Alex Selimov
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6f15daf1ec
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Initial working commit with bug in delete command
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5 years ago |
aselimov
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08aa5d46df
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Merge pull request #22 from aselimov/ft--option-orient
Ft option orient
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5 years ago |
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Alex Selimov
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9be65c4510
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Added delete option and update readme
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5 years ago |
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Alex Selimov
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f37f19cbcf
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Forgot to add the option file
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5 years ago |
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Alex Selimov
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44efb4be4a
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Added orient and unorient options
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5 years ago |
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Alex Selimov
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58ad74ca9a
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Quick add of boundary option and update to readme
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5 years ago |
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Alex Selimov
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4117f31cb6
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Small fix to writing to restart format
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5 years ago |
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Alex
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dc42b7b925
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Separated wrap option to reduce opy and pasted code. Fixed warnings and added wrapping when inserting a dislocation or loop
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5 years ago |
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Alex Selimov
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72dc7b089f
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Merge branch 'development' into ft--random-position-selector
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5 years ago |
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Alex Selimov
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282dcd3c58
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Add random position
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5 years ago |
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Alex Selimov
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a942b8e2a1
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Added -ow option which allows for automatic overwriting
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5 years ago |
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Alex Selimov
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9ebdfff0a1
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Added print messages to let user know whats going on
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5 years ago |
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aselimov
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e91bcd5d1e
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Merge pull request #16 from aselimov/ft--group-refine
Added remesh option to group
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5 years ago |
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Alex Selimov
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fd143783ec
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Added remesh option to group
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5 years ago |
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Alex Selimov
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1db2b24499
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Fixes to parse_pos subroutine
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5 years ago |
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Alex Selimov
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69ab46b6e3
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Fix to inf*val format for positions
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5 years ago |
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aselimov
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4e592fb4aa
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Merge pull request #15 from aselimov/bg--fix-to-dislgen
Bg fix to dislgen
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5 years ago |
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Alex Selimov
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99a680542d
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Extended inf commands to be position independent of the inf command
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5 years ago |
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Alex Selimov
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0d2a351cd5
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Fix to disl_gen. Problems with sub_box_bd and element dislocation displacement field
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5 years ago |
Kevin Chu
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1b099a17d5
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Fix to makefile build order
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5 years ago |
|
Alex Selimov
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94e1c9fd7b
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Missing allocation in disloop code
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5 years ago |
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aselimov
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071e8169b9
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Merge pull request #13 from aselimov/ft--opt-dislloop
Square loop option
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5 years ago |
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Alex
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e76187bd3c
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Square loop option
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5 years ago |
|
Alex
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8a1bbcbc4e
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Added call_option which has been needed for a while but was missing
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5 years ago |
|
Alex
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347b73054b
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Added group option and shift command
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5 years ago |
|
Alex
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f80045058f
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quick fix to bug to write pycac format
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5 years ago |
|
Alex Selimov
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12aa13b94b
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Fixes to element definitions
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5 years ago |
|
Alex Selimov
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cde96402e2
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Working shift command for merge
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5 years ago |
|
Alex Selimov
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14dd8ad755
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Fixes to mode_merge
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5 years ago |
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Alex Selimov
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849da1d24a
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Changes to how the adjustment to nodal positions is performed for lammpscac output
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5 years ago |
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Alex Selimov
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55fbe679e5
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Quick fix to argument positioning
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5 years ago |
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Alex Selimov
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c89b7d3b59
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Merge branch 'ft--opt-dislloop' into development
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5 years ago |
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Alex Selimov
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fbae3a1594
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Working version of CACmb capable of building simple models for lammpsCAC
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5 years ago |
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Alex Selimov
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d09ebfa7e0
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Merge branch 'development' into ft-write-lammpscac
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5 years ago |
|
Alex Selimov
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ba28734fd7
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Working changes to write lammps cac
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5 years ago |
|
Alex Selimov
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20546dc267
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Actual dislocation loop generation algorithm alongside dislgen command
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5 years ago |
|
Alex Selimov
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ec7980ff0b
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Fix to main when running without a mode
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5 years ago |
|
Alex Selimov
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1f1598dec9
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Added Make install and fix to main
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5 years ago |
|
Alex Selimov
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8fc91f4dd2
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Working planar vacancy cluster algorithm
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5 years ago |
|
Alex
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d0e6253d64
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Working commit for dislocation generation branch
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5 years ago |
|
Alex Selimov
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41024b9674
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Added new parse ori_vec subroutine to parse orientation vectors
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5 years ago |
|
Alex Selimov
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e007038b6f
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Merge branch 'development' of https://github.com/aselimov/CACmb into development
Cherry-picking the call_mode commit into the main development branch to work on other options
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5 years ago |
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Alex Selimov
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0dff3b2ca9
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Restructure the command parsing loops so the mode commands only parse the mode options
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5 years ago |
|
Alex Selimov
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b3a9577cc2
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Added writing to pycac restart file format
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5 years ago |
|
Alex Selimov
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c291ec65b4
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Quick bug fix
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5 years ago |
|
Alex Selimov
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b0941e4482
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Fixes to file reading to ensure that mode_merge works correctly
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5 years ago |
|
Alex
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3c7461f094
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Added mode merge, adjusted how file reading works to accomodate model merge
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5 years ago |
|
Alex
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fb2abc60d1
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Updates to box variables adding new sub_box variables and propagating changes through all of the modes
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5 years ago |
|
Alex Selimov
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d624e6ed5d
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Added mode_convert and documentation. Created new .mb filetype which contains all necessary information for operating on simulation cells. Created framework for reading in data files, right now only .mb style files
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5 years ago |
|
Alex Selimov
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03f69c6df7
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Removed extra variables from mode_create.f90, added a new module to contain simulation box information and changed code accordingly, new grow subroutine in elements.
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5 years ago |
|
Alex Selimov
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fa1cb6ce58
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Fixes to mode_create, moved basis_pos from elements to mode_create, added the mb file output style
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5 years ago |
|
Alex Selimov
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591762d259
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Latest attempts to get the lammpscac data format working
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5 years ago |
|
Alex Selimov
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c1150ae4b1
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First attempts at figuring out the element format for lammpscac
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5 years ago |
|
Alex Selimov
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54aa50b605
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Working writing to lammpsCAC format
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5 years ago |
|
Alex
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ff3fc5e20a
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First working version of model builder with several output file types and mode_create working
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5 years ago |
|
Alex
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8217e8b51c
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Initial commit with file writing and create mode working for atoms
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5 years ago |
|
Alex Selimov
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624886bbe9
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Initial commit with working atom and lattice type parsing
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5 years ago |
