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CACmb
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183 Commits (971e0a5e8d53b0b716d5e3e6f28e78163d4f657e)

Author SHA1 Message Date
Alex Selimov de1d230b87 Remove sub_box_arrary_bd as it isn't needed
5 years ago
Alex Selimov c11a1bb463 Added rectangular vacancy disloop
5 years ago
Alex Selimov fc20350748 vacancydisloop option added
5 years ago
Alex Selimov 44a9dbaead Add tol variable replacing lim_zero as a tolerance for real checks
5 years ago
Alex Selimov 6642c2a1b7 FIx to opt-orient command due to difference with how boundary command worked
5 years ago
Alex Selimov 0ad06a2d6b Working changes to boundary command
5 years ago
Alex Selimov d2f3c9e3ec Add check for orientation to make sure it's right handed and orthogonal
5 years ago
Alex Selimov 9038242b98 Changes to how the io works for writing restart and merging
5 years ago
Alex Selimov 1a30968dca Added the rand element code
5 years ago
Alex Selimov 27faeee5ea Working code which picks random position slightly outside element bounds
5 years ago
Alex d670bb5083 Working remesh command and remesh max command
5 years ago
Alex 5b925122df Added verbosity to remesh command
5 years ago
Alex 09c2e63155 Working element refinement
5 years ago
Alex 56994393a0 Fix to bug causing incorrrect positions. Remeshing algorithm works
5 years ago
Alex Selimov c698c31ede First version that doesn't crash, incorrectly places elements and atoms
5 years ago
Alex 20755270a4 Debugging version of code
5 years ago
Alex d0b6c595f0 Fix to outputting single element
5 years ago
Alex 6a0d441bd0 Fix to disloop code
5 years ago
Alex Selimov 1b82d98a4f Added right hand rule check to orientation in mode_create
5 years ago
Alex Selimov 9702ec85e9 Added set max esize when reading in specific files
5 years ago
Alex Selimov 98d00ea431 Fix problems with mode_create.f90
5 years ago
Alex Selimov b97986bf04 change box definition
5 years ago
Alex Selimov 3aed6966da Added possibility to select random number within range
5 years ago
Alex Selimov a1a506e17d Added delete option with delete overlap command
5 years ago
Alex Selimov 92671ea0b2 Fix to mode merge box definition
5 years ago
Alex Selimov e9521f43f3 Fix to formatting and cell neighbor loop algorithm
5 years ago
Alex Selimov 6f15daf1ec Initial working commit with bug in delete command
5 years ago
aselimov 08aa5d46df
Merge pull request #22 from aselimov/ft--option-orient
5 years ago
Alex Selimov 9be65c4510 Added delete option and update readme
5 years ago
Alex Selimov f37f19cbcf Forgot to add the option file
5 years ago
Alex Selimov 44efb4be4a Added orient and unorient options
5 years ago
Alex Selimov 58ad74ca9a Quick add of boundary option and update to readme
5 years ago
Alex Selimov 4117f31cb6 Small fix to writing to restart format
5 years ago
Alex dc42b7b925 Separated wrap option to reduce opy and pasted code. Fixed warnings and added wrapping when inserting a dislocation or loop
5 years ago
Alex Selimov 72dc7b089f Merge branch 'development' into ft--random-position-selector
5 years ago
Alex Selimov 282dcd3c58 Add random position
5 years ago
Alex Selimov a942b8e2a1 Added -ow option which allows for automatic overwriting
5 years ago
Alex Selimov 9ebdfff0a1 Added print messages to let user know whats going on
5 years ago
aselimov e91bcd5d1e
Merge pull request #16 from aselimov/ft--group-refine
5 years ago
Alex Selimov fd143783ec Added remesh option to group
5 years ago
Alex Selimov 1db2b24499 Fixes to parse_pos subroutine
5 years ago
Alex Selimov 69ab46b6e3 Fix to inf*val format for positions
5 years ago
aselimov 4e592fb4aa
Merge pull request #15 from aselimov/bg--fix-to-dislgen
5 years ago
Alex Selimov 99a680542d Extended inf commands to be position independent of the inf command
5 years ago
Alex Selimov 0d2a351cd5 Fix to disl_gen. Problems with sub_box_bd and element dislocation displacement field
5 years ago
Kevin Chu 1b099a17d5 Fix to makefile build order
5 years ago
Alex Selimov 94e1c9fd7b Missing allocation in disloop code
5 years ago
aselimov 071e8169b9
Merge pull request #13 from aselimov/ft--opt-dislloop
5 years ago
Alex e76187bd3c Square loop option
5 years ago
Alex 8a1bbcbc4e Added call_option which has been needed for a while but was missing
5 years ago
Alex 347b73054b Added group option and shift command
5 years ago
Alex f80045058f quick fix to bug to write pycac format
5 years ago
Alex Selimov 12aa13b94b Fixes to element definitions
5 years ago
Alex Selimov cde96402e2 Working shift command for merge
5 years ago
Alex Selimov 14dd8ad755 Fixes to mode_merge
5 years ago
Alex Selimov 849da1d24a Changes to how the adjustment to nodal positions is performed for lammpscac output
5 years ago
Alex Selimov 55fbe679e5 Quick fix to argument positioning
5 years ago
Alex Selimov c89b7d3b59 Merge branch 'ft--opt-dislloop' into development
5 years ago
Alex Selimov fbae3a1594 Working version of CACmb capable of building simple models for lammpsCAC
5 years ago
Alex Selimov d09ebfa7e0 Merge branch 'development' into ft-write-lammpscac
5 years ago
Alex Selimov ba28734fd7 Working changes to write lammps cac
5 years ago
Alex Selimov 20546dc267 Actual dislocation loop generation algorithm alongside dislgen command
5 years ago
Alex Selimov ec7980ff0b Fix to main when running without a mode
5 years ago
Alex Selimov 1f1598dec9 Added Make install and fix to main
5 years ago
Alex Selimov 8fc91f4dd2 Working planar vacancy cluster algorithm
5 years ago
Alex d0e6253d64 Working commit for dislocation generation branch
5 years ago
Alex Selimov 41024b9674 Added new parse ori_vec subroutine to parse orientation vectors
5 years ago
Alex Selimov e007038b6f Merge branch 'development' of https://github.com/aselimov/CACmb into development
5 years ago
Alex Selimov 0dff3b2ca9 Restructure the command parsing loops so the mode commands only parse the mode options
5 years ago
Alex Selimov b3a9577cc2 Added writing to pycac restart file format
5 years ago
Alex Selimov c291ec65b4 Quick bug fix
5 years ago
Alex Selimov b0941e4482 Fixes to file reading to ensure that mode_merge works correctly
5 years ago
Alex 3c7461f094 Added mode merge, adjusted how file reading works to accomodate model merge
5 years ago
Alex fb2abc60d1 Updates to box variables adding new sub_box variables and propagating changes through all of the modes
5 years ago
Alex Selimov d624e6ed5d 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
5 years ago
Alex Selimov 03f69c6df7 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.
5 years ago
Alex Selimov fa1cb6ce58 Fixes to mode_create, moved basis_pos from elements to mode_create, added the mb file output style
5 years ago
Alex Selimov 591762d259 Latest attempts to get the lammpscac data format working
5 years ago
Alex Selimov c1150ae4b1 First attempts at figuring out the element format for lammpscac
5 years ago
Alex Selimov 54aa50b605 Working writing to lammpsCAC format
5 years ago
Alex ff3fc5e20a First working version of model builder with several output file types and mode_create working
5 years ago
Alex 8217e8b51c Initial commit with file writing and create mode working for atoms
5 years ago
Alex Selimov 624886bbe9 Initial commit with working atom and lattice type parsing
5 years ago