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msg-byu
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enumlib
Derivative structure enumeration library
MIT License
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The recursively stabilized enum and the polya executable are both now fully implemented.
#28
wsmorgan
closed
7 years ago
0
Conda package for enumlib
#27
shyuep
closed
7 years ago
2
Revert "Added all the source code for the enum4 style code. This includes updating the makefile to utilize the polya algorithm, adding the source code for the polya algorithm, changing tree_class to be fully functional, creating a new subroutines in labeling_related for enum4 including enum4 and write_single_labeling, adding a new subroutine to sorting.f90 and updating derivative_structure_generator to use the new code."
#26
rosenbrockc
closed
8 years ago
0
Implemented polya.x. Fixed bugs introduced by previous merge. See HISTORY.md
#25
wsmorgan
closed
8 years ago
1
Added all the source code for the enum4 style code. This includes updating the makefile to utilize the polya algorithm, adding the source code for the polya algorithm, changing tree_class to be fully functional, creating a new subroutines in labeling_related for enum4 including enum4 and write_single_labeling, adding a new subroutine to sorting.f90 and updating derivative_structure_generator to use the new code.
#24
wsmorgan
closed
8 years ago
0
Added unit test files and *.xml files that control the unit tests.
#23
wsmorgan
closed
8 years ago
0
Move sort_concs into heapsort
#22
wsmorgan
closed
7 years ago
5
Add sub-packages to enum for symlib and polya.
#21
wsmorgan
closed
8 years ago
2
Combine the write_arrow_labelings and write_single labeling subroutines.
#20
wsmorgan
closed
8 years ago
1
Enhancement: Make the arrow enumeration only permute/consider the x and y arrows for the 2D case
#19
wsmorgan
closed
8 years ago
1
Code adde for non-arrowed enum4.
#18
wsmorgan
closed
8 years ago
1
Fixed a minor output format issue and updated files for the global unit tests.
#17
wsmorgan
closed
8 years ago
1
Format error for enumerations with more than 5 atomic species
#16
wsmorgan
closed
8 years ago
2
Enhancement. Enumeration code has option to find number of unique arrangements without enumerating.
#15
wsmorgan
closed
7 years ago
1
Structure enumeration in uncle fails when the concentration range is limited in groundstatesearch.in
#14
dreith
closed
8 years ago
3
Fixing compilation issue reported in issue #12
#13
wsmorgan
closed
8 years ago
0
compiliation fails after last update
#12
dreith
closed
8 years ago
2
Restructured the repo to move files that weren't necessary for compilation of enum.x to aux_src to clean up repo's appearance and for ease of unit testing.
#11
wsmorgan
closed
8 years ago
0
Side programs in enumlib.
#10
wsmorgan
closed
9 years ago
1
All unit tests for subroutines used in UNCLE that fortpy supports
#9
wsmorgan
closed
9 years ago
0
Fixed concentration enumeration not being written out.
#8
wsmorgan
closed
9 years ago
3
Future project in labeling_related.
#7
wsmorgan
closed
6 years ago
1
What to do with co_ca in io_utils.f90
#6
wsmorgan
closed
9 years ago
2
derivative_structure_generator and enumeration_utilities unit tests
#5
wsmorgan
closed
9 years ago
1
Good/bad news
#4
wsmorgan
closed
8 years ago
5
fortpy compiler not recognizing allocatable tag in test for find_permutation_of_group_and_dset
#3
wsmorgan
closed
9 years ago
3
Fortpy can't find timing.o file in uncle/src/
#2
wsmorgan
closed
9 years ago
2
Reorganized the file structure to match symlib's.
#1
wsmorgan
closed
9 years ago
0
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