Alex Selimov
|
aef9da49be
|
Added greater range of element sizes
|
4 years ago |
|
Alex Selimov
|
080f19d644
|
Update .xyz file format to include element and atom files
|
4 years ago |
|
Alex Selimov
|
e5eec7a7cd
|
Added random option which can be used to create vacancy fields
|
4 years ago |
|
Alex Selimov
|
5dda0e3b81
|
Added efill option
|
4 years ago |
|
Alex Selimov
|
8693d7aaa9
|
Initial testing of efill code
|
4 years ago |
|
Alex Selimov
|
8cb9787ea2
|
Added functionality so you can refine elements prior to operating on the group
|
4 years ago |
|
Alex Selimov
|
b28875b3e1
|
Added keyword for group selection based on nodal position instead of centroid
|
4 years ago |
|
Alex Selimov
|
32ab5a6058
|
Added basic basis functionality to code
|
4 years ago |
|
Alex Selimov
|
ffbe83f2f5
|
Added ability to have spaces in orient string if passed with quotes
|
4 years ago |
|
Alex Selimov
|
66670671b5
|
Notch group shape
|
4 years ago |
|
Alex Selimov
|
9ccc5f1caf
|
Replaced sorting method which resulted in broken deletion algorithm
|
4 years ago |
|
Alex Selimov
|
3a59b23be7
|
Working bcc crystal structure when viewing in .lmp or .vtk format
|
4 years ago |
Alex Selimov
|
4038cab76f
|
Latest working changes to read-CAC
|
4 years ago |
|
Alex Selimov
|
284fce3c17
|
Add group shape id
|
4 years ago |
|
Alex Selimov
|
b3e05da6a4
|
Working changes for reading .cac files
|
4 years ago |
|
Alex Selimov
|
e6d7741060
|
Working changes to io.f90
|
4 years ago |
|
Alex Selimov
|
acd902db4b
|
working changes to bcc files
|
4 years ago |
|
Alex Selimov
|
f6c0cf93f2
|
Final changes fixing remesh group
|
4 years ago |
|
Alex Selimov
|
babf4e176d
|
Current working changes
|
4 years ago |
|
Alex Selimov
|
9a484c86f6
|
Add wedge group shape option to opt_group.f90, update the documentation, and add the relevant functions to functions.f90
|
4 years ago |
|
Alex Selimov
|
975e2b3fc1
|
Fix to numbering on interpolated atoms
|
4 years ago |
|
Alex Selimov
|
a9b266d757
|
Added sbox_ori option for when reading in restart files
|
4 years ago |
|
Alex Selimov
|
4868a30e57
|
Added read_pycac subroutine
|
4 years ago |
|
Alex Selimov
|
697dd7fa83
|
Change minimium element size in max remesh
|
4 years ago |
|
Alex Selimov
|
de1d230b87
|
Remove sub_box_arrary_bd as it isn't needed
|
4 years ago |
|
Alex Selimov
|
c11a1bb463
|
Added rectangular vacancy disloop
|
4 years ago |
|
Alex Selimov
|
fc20350748
|
vacancydisloop option added
|
4 years ago |
|
Alex Selimov
|
44a9dbaead
|
Add tol variable replacing lim_zero as a tolerance for real checks
|
4 years ago |
|
Alex Selimov
|
6642c2a1b7
|
FIx to opt-orient command due to difference with how boundary command worked
|
4 years ago |
|
Alex Selimov
|
0ad06a2d6b
|
Working changes to boundary command
|
4 years ago |
|
Alex Selimov
|
d2f3c9e3ec
|
Add check for orientation to make sure it's right handed and orthogonal
|
4 years ago |
|
Alex Selimov
|
9038242b98
|
Changes to how the io works for writing restart and merging
|
4 years ago |
|
Alex Selimov
|
1a30968dca
|
Added the rand element code
|
4 years ago |
|
Alex Selimov
|
27faeee5ea
|
Working code which picks random position slightly outside element bounds
|
4 years ago |
|
Alex
|
d670bb5083
|
Working remesh command and remesh max command
|
4 years ago |
|
Alex
|
5b925122df
|
Added verbosity to remesh command
|
4 years ago |
|
Alex
|
09c2e63155
|
Working element refinement
|
4 years ago |
|
Alex
|
56994393a0
|
Fix to bug causing incorrrect positions. Remeshing algorithm works
|
4 years ago |
|
Alex Selimov
|
c698c31ede
|
First version that doesn't crash, incorrectly places elements and atoms
|
4 years ago |
|
Alex
|
20755270a4
|
Debugging version of code
|
4 years ago |
|
Alex
|
d0b6c595f0
|
Fix to outputting single element
|
4 years ago |
|
Alex
|
6a0d441bd0
|
Fix to disloop code
|
4 years ago |
|
Alex Selimov
|
1b82d98a4f
|
Added right hand rule check to orientation in mode_create
|
4 years ago |
|
Alex Selimov
|
9702ec85e9
|
Added set max esize when reading in specific files
|
4 years ago |
|
Alex Selimov
|
98d00ea431
|
Fix problems with mode_create.f90
|
4 years ago |
|
Alex Selimov
|
b97986bf04
|
change box definition
|
4 years ago |
|
Alex Selimov
|
3aed6966da
|
Added possibility to select random number within range
|
4 years ago |
|
Alex Selimov
|
a1a506e17d
|
Added delete option with delete overlap command
|
4 years ago |
|
Alex Selimov
|
92671ea0b2
|
Fix to mode merge box definition
|
4 years ago |
|
Alex Selimov
|
e9521f43f3
|
Fix to formatting and cell neighbor loop algorithm
|
4 years ago |
|
Alex Selimov
|
6f15daf1ec
|
Initial working commit with bug in delete command
|
4 years ago |
aselimov
|
08aa5d46df
|
Merge pull request #22 from aselimov/ft--option-orient
Ft option orient
|
4 years ago |
|
Alex Selimov
|
9be65c4510
|
Added delete option and update readme
|
4 years ago |
|
Alex Selimov
|
f37f19cbcf
|
Forgot to add the option file
|
4 years ago |
|
Alex Selimov
|
44efb4be4a
|
Added orient and unorient options
|
4 years ago |
|
Alex Selimov
|
58ad74ca9a
|
Quick add of boundary option and update to readme
|
4 years ago |
|
Alex Selimov
|
4117f31cb6
|
Small fix to writing to restart format
|
4 years ago |
|
Alex
|
dc42b7b925
|
Separated wrap option to reduce opy and pasted code. Fixed warnings and added wrapping when inserting a dislocation or loop
|
4 years ago |
|
Alex Selimov
|
72dc7b089f
|
Merge branch 'development' into ft--random-position-selector
|
4 years ago |
|
Alex Selimov
|
282dcd3c58
|
Add random position
|
4 years ago |
|
Alex Selimov
|
a942b8e2a1
|
Added -ow option which allows for automatic overwriting
|
4 years ago |
|
Alex Selimov
|
9ebdfff0a1
|
Added print messages to let user know whats going on
|
4 years ago |
|
aselimov
|
e91bcd5d1e
|
Merge pull request #16 from aselimov/ft--group-refine
Added remesh option to group
|
4 years ago |
|
Alex Selimov
|
fd143783ec
|
Added remesh option to group
|
4 years ago |
|
Alex Selimov
|
1db2b24499
|
Fixes to parse_pos subroutine
|
4 years ago |
|
Alex Selimov
|
69ab46b6e3
|
Fix to inf*val format for positions
|
4 years ago |
|
aselimov
|
4e592fb4aa
|
Merge pull request #15 from aselimov/bg--fix-to-dislgen
Bg fix to dislgen
|
4 years ago |
|
Alex Selimov
|
99a680542d
|
Extended inf commands to be position independent of the inf command
|
4 years ago |
|
Alex Selimov
|
0d2a351cd5
|
Fix to disl_gen. Problems with sub_box_bd and element dislocation displacement field
|
4 years ago |
Kevin Chu
|
1b099a17d5
|
Fix to makefile build order
|
4 years ago |
|
Alex Selimov
|
94e1c9fd7b
|
Missing allocation in disloop code
|
4 years ago |
|
aselimov
|
071e8169b9
|
Merge pull request #13 from aselimov/ft--opt-dislloop
Square loop option
|
4 years ago |
|
Alex
|
e76187bd3c
|
Square loop option
|
4 years ago |
|
Alex
|
8a1bbcbc4e
|
Added call_option which has been needed for a while but was missing
|
4 years ago |
|
Alex
|
347b73054b
|
Added group option and shift command
|
4 years ago |
|
Alex
|
f80045058f
|
quick fix to bug to write pycac format
|
4 years ago |
|
Alex Selimov
|
12aa13b94b
|
Fixes to element definitions
|
4 years ago |
|
Alex Selimov
|
cde96402e2
|
Working shift command for merge
|
4 years ago |
|
Alex Selimov
|
14dd8ad755
|
Fixes to mode_merge
|
4 years ago |
|
Alex Selimov
|
849da1d24a
|
Changes to how the adjustment to nodal positions is performed for lammpscac output
|
4 years ago |
|
Alex Selimov
|
55fbe679e5
|
Quick fix to argument positioning
|
4 years ago |
|
Alex Selimov
|
c89b7d3b59
|
Merge branch 'ft--opt-dislloop' into development
|
4 years ago |
|
Alex Selimov
|
fbae3a1594
|
Working version of CACmb capable of building simple models for lammpsCAC
|
4 years ago |
|
Alex Selimov
|
d09ebfa7e0
|
Merge branch 'development' into ft-write-lammpscac
|
4 years ago |
|
Alex Selimov
|
ba28734fd7
|
Working changes to write lammps cac
|
4 years ago |
|
Alex Selimov
|
20546dc267
|
Actual dislocation loop generation algorithm alongside dislgen command
|
4 years ago |
|
Alex Selimov
|
ec7980ff0b
|
Fix to main when running without a mode
|
4 years ago |
|
Alex Selimov
|
1f1598dec9
|
Added Make install and fix to main
|
4 years ago |
|
Alex Selimov
|
8fc91f4dd2
|
Working planar vacancy cluster algorithm
|
4 years ago |
|
Alex
|
d0e6253d64
|
Working commit for dislocation generation branch
|
4 years ago |
|
Alex Selimov
|
41024b9674
|
Added new parse ori_vec subroutine to parse orientation vectors
|
4 years ago |
|
Alex Selimov
|
e007038b6f
|
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
|
4 years ago |
|
Alex Selimov
|
0dff3b2ca9
|
Restructure the command parsing loops so the mode commands only parse the mode options
|
4 years ago |
|
Alex Selimov
|
b3a9577cc2
|
Added writing to pycac restart file format
|
4 years ago |
|
Alex Selimov
|
c291ec65b4
|
Quick bug fix
|
4 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 |
