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msg-byu
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kgridGen
Generator for Generalized Regular k-point grids
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Fixed the deallocation problem
#32
glwhart
closed
1 year ago
0
undefined reference problem
#31
DJLMU
opened
3 years ago
2
Bug in python wrapper?
#30
cajfisher
closed
3 years ago
1
STOP: Input matrix is linearly dependent
#29
glwhart
opened
4 years ago
2
Added options for selecting the level of symmetry used for folding the grid.
#28
wsmorgan
closed
5 years ago
0
Updated variable types to agree with `symlib`.
#27
wsmorgan
closed
5 years ago
1
Changed symmetry ops to be integer and added err_ flag for SmithNormalForm
#26
wsmorgan
closed
5 years ago
0
Fixed the unit tests for the symmetry reduction code and added relative and absolute tolerances to the calling interfaces.
#25
wsmorgan
closed
6 years ago
0
Python wrapped code.
#24
wsmorgan
closed
6 years ago
0
The driver should read in an input file
#23
wsmorgan
opened
6 years ago
0
Different number of irreducible k-points for equivalent k-lattices
#22
wsmorgan
closed
5 years ago
1
Fixed missing inversion symmetry
#21
wsmorgan
closed
6 years ago
2
Memory Leak in generateIrredKpointList
#20
JohnEdChristensen
closed
6 years ago
2
Fixed mem leak
#19
JohnEdChristensen
closed
6 years ago
0
Delete print statements
#18
jerjorg
closed
6 years ago
0
Bug fix
#17
jerjorg
closed
6 years ago
0
Error in symmetryReduceKpointList
#16
JohnEdChristensen
closed
5 years ago
9
Removed print statement from code.
#15
wsmorgan
closed
6 years ago
0
Export full list, partitioned into orbits
#14
glwhart
opened
6 years ago
0
VASP Error Outlier
#13
jerjorg
closed
6 years ago
2
Switching from point group to space group.
#12
wsmorgan
closed
6 years ago
0
Revision 0.5.7 (JJ)
#11
jerjorg
closed
6 years ago
0
Wrapped determinate in generateKpointsList in abs()
#10
hamiltonparker
closed
6 years ago
1
Error when lattice vectors have negative determinant
#9
hamiltonparker
closed
6 years ago
1
Confusing comment and line of code in generateKpoints.f90
#8
glwhart
closed
6 years ago
7
Removed write statements from that were polluting the screen.
#7
wsmorgan
closed
6 years ago
1
Removed fortpy.f90 from the repository from the makefile and driver.
#6
wsmorgan
closed
6 years ago
0
Eliminating the search within a sphere when mapping points to first Brillouin zone
#5
jerjorg
closed
7 years ago
1
Error in k-point folding routine.
#4
wsmorgan
closed
6 years ago
10
Consistent equality checks between subroutines.
#3
wsmorgan
closed
7 years ago
4
Incorrect orbits determined for BCC lattice
#2
KaceyLeavitt
closed
7 years ago
6
Unfolding a reduced list
#1
glwhart
opened
7 years ago
1