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ExpHP
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rsp2
phonons in rust
Apache License 2.0
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kolmogorov/crespi/z: support nlayers != 2
#35
ExpHP
closed
6 years ago
0
velocity cluster finding for finding primitive gamma bands
#34
ExpHP
closed
7 years ago
1
band unfolding not good for finding "gamma" bands
#33
ExpHP
closed
6 years ago
1
audit for functions that take `R: Read` and then construct their own `BufReader`
#32
ExpHP
closed
6 years ago
1
cleanup/finish incomplete features
#31
ExpHP
closed
5 years ago
1
Read legacy layers.yaml files
#30
ExpHP
closed
7 years ago
0
Lammps wrapper cannot simultaneously shrink a lattice diagonal element and increase an off-diagonal
#29
ExpHP
closed
6 years ago
3
Quotient-space projections of a supercell eigenvector
#28
ExpHP
closed
6 years ago
1
space group from lattice point group
#27
ExpHP
closed
5 years ago
1
`lattice_point_group` needs testing
#26
ExpHP
closed
5 years ago
1
finish writing cell reduction test
#25
ExpHP
closed
5 years ago
1
rename `vec_from_fn` to `arr_from_fn`
#24
ExpHP
closed
7 years ago
0
LB ~ stickiness, Shear ~ roughness
#23
ExpHP
closed
6 years ago
0
look at other modes besides shear/layer breathing as function of angle
#22
ExpHP
closed
6 years ago
1
use bond polarization model on AB structures
#21
ExpHP
closed
6 years ago
0
rsp2-phonopy-io is slow to compile for some reason
#20
ExpHP
closed
6 years ago
2
supercells might not be necessary for relaxation
#19
ExpHP
closed
6 years ago
1
render energy surfaces in shear eigenmodes for some structures
#18
ExpHP
closed
7 years ago
1
better relaxation of lattice parameter
#17
ExpHP
closed
7 years ago
1
linesearch code quality
#16
ExpHP
opened
7 years ago
0
use try_clone on phonopy stdio logging
#15
ExpHP
closed
6 years ago
1
try rayon for displacements?
#14
ExpHP
closed
6 years ago
4
continuously run on more inputs
#13
ExpHP
closed
5 years ago
1
turn more FIXMEs into issues
#12
ExpHP
closed
6 years ago
1
need outputs
#11
ExpHP
closed
7 years ago
1
recompute some structures that became C2 with higher symprec
#10
ExpHP
closed
7 years ago
2
symmetry tolerance option
#9
ExpHP
closed
7 years ago
1
Lattice construction and degenerate matrices
#8
ExpHP
opened
7 years ago
0
Permissive licensing (where possible)
#7
ExpHP
closed
6 years ago
1
GPL licensing (where necessary)
#6
ExpHP
closed
6 years ago
1
poscar metadata type
#5
ExpHP
closed
6 years ago
1
test integer scatter functions in lammps-sys
#4
ExpHP
opened
7 years ago
0
support for more lattice types in `assign_layers` algorithm
#3
ExpHP
closed
5 years ago
2
use lammps error API
#2
ExpHP
closed
7 years ago
1
Issue with permutations from GroupTree
#1
ExpHP
closed
7 years ago
2
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