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 Selimov
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38872d8d9f
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Update to readme with correct format for dislocation command
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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 |
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 |
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aselimov
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e2ae586ea5
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Merge pull request #12 from aselimov/ft--opt-group
Ft opt group
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5 years ago |
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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 |
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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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aselimov
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b0059a34a1
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Merge pull request #10 from aselimov/bg--fix-to-pycac-format
Fixes to element definitions
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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
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f0665ce3ef
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Add installation instructions
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5 years ago |
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aselimov
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ceeb5ef1a9
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Merge pull request #9 from aselimov/ft--merge-wrap
Ft merge wrap
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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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14dd8ad755
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Fixes to mode_merge
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5 years ago |
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aselimov
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fe6101167f
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Merge pull request #7 from aselimov/redo-lammpscac
Changes to how the adjustment to nodal positions is performed for lam…
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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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aselimov
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889edfd314
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Merge pull request #6 from aselimov/ft-write-lammpscac
Ft write lammpscac
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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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ba28734fd7
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Working changes to write lammps cac
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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 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 |
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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 |
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Alex Selimov
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8fc91f4dd2
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Working planar vacancy cluster algorithm
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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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41024b9674
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Added new parse ori_vec subroutine to parse orientation vectors
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5 years ago |
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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 |
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aselimov
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1355385ffd
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Merge pull request #5 from aselimov/ft--pycac-restart
Added writing to pycac restart file format
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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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c291ec65b4
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Quick bug fix
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5 years ago |
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aselimov
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ce2e3d17f4
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Merge pull request #4 from aselimov/bg--fixes-to-mode-merge-reading
Fixes to file reading to ensure that mode_merge works correctly
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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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aselimov
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95060bc0d9
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Merge pull request #2 from aselimov/ft--mode-merge
Ft mode merge
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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
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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 |
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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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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 |
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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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591762d259
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Latest attempts to get the lammpscac data format working
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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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aselimov
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033b44dc40
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Merge pull request #1 from aselimov/ft--mode-create
Ft mode create
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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 |
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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 |
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aselimov
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552dd3cada
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Initial commit
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5 years ago |
