Alex Selimov
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32ab5a6058
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Added basic basis functionality to code
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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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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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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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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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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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20755270a4
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Debugging version of code
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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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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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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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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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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 |
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Alex
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347b73054b
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Added group option and shift command
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5 years ago |
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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 |
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Alex Selimov
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12aa13b94b
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Fixes to element definitions
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5 years ago |
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Alex Selimov
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cde96402e2
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Working shift command for 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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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 |
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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 |
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Alex
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d0e6253d64
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Working commit for dislocation generation branch
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5 years ago |
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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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Alex Selimov
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54aa50b605
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Working writing to lammpsCAC format
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5 years ago |
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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 |
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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 |
