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ExpHP
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rsp2
phonons in rust
Apache License 2.0
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Bump numpy from 1.20.1 to 1.22.0
#135
dependabot[bot]
closed
2 years ago
3
Bump enum-map from 0.4.1 to 2.0.2
#134
dependabot[bot]
closed
2 years ago
1
Bump array-macro from 1.0.2 to 1.0.5
#133
dependabot[bot]
closed
2 years ago
2
Bump ordered-float from 1.0.1 to 1.1.1
#132
dependabot[bot]
closed
2 years ago
2
Bump ordered-float from 1.0.1 to 2.0.1
#131
dependabot[bot]
closed
2 years ago
1
Bump serde_yaml from 0.7.5 to 0.8.4
#130
dependabot[bot]
closed
2 years ago
2
Bump crossbeam-utils from 0.8.1 to 0.8.8
#129
dependabot[bot]
closed
2 years ago
2
Bump stack from 0.3.0 to 0.3.1
#128
dependabot[bot]
closed
2 years ago
2
Bump crossbeam-deque from 0.8.0 to 0.8.1
#127
dependabot[bot]
closed
2 years ago
2
Bump pillow from 8.1.0 to 9.0.1 in /scripts
#126
dependabot[bot]
closed
2 years ago
2
Bump pillow from 8.1.0 to 9.0.0 in /scripts
#125
dependabot[bot]
closed
2 years ago
1
Bump pillow from 8.1.0 to 8.3.2 in /scripts
#124
dependabot[bot]
closed
2 years ago
1
Doc fixes
#123
ExpHP
closed
3 years ago
3
Reax ff
#122
Brandonkl
opened
3 years ago
0
MoS2/react giving 'Multiple shortest images found for a vector'
#121
ExpHP
opened
3 years ago
1
Acousticness definition wrong for multiple atom types
#120
ExpHP
opened
3 years ago
0
add mask to layer-sep optimization
#119
ExpHP
closed
3 years ago
0
Bump pillow from 8.1.0 to 8.2.0 in /scripts
#118
dependabot[bot]
closed
3 years ago
1
Problem with vergen?
#117
ExpHP
opened
3 years ago
0
Building on 1.52.0+ seems to be broken (could not find proc_macro_call)
#116
ExpHP
closed
3 years ago
1
Separate bond polarizability
#115
ExpHP
closed
3 years ago
1
Bump pillow from 8.1.0 to 8.1.1 in /scripts
#114
dependabot[bot]
closed
3 years ago
1
Required version of numpy can't be installed on Python 3.9
#113
ExpHP
closed
3 years ago
2
Revert "Package version fixes"
#112
ExpHP
closed
3 years ago
0
Package version fixes
#111
colin-daniels
closed
3 years ago
3
Issues building openblas-src
#110
ExpHP
opened
4 years ago
0
Poor usage of multithreading observed on edge
#109
ExpHP
opened
4 years ago
1
reading npz files takes soooooo long
#108
ExpHP
closed
3 years ago
1
Look into LOBPCG (sparse diagonalizer method)
#107
ExpHP
opened
4 years ago
4
Code for KC local normal optimized DispFn doesn't look right?
#106
ExpHP
closed
4 years ago
1
More CI (GitHub actions)
#105
colin-daniels
closed
3 years ago
1
crash: "every index should have been accounted for"
#104
colin-daniels
closed
5 years ago
1
Inconsistency between lammps kc-z and rust kc-z in settings
#103
ExpHP
opened
5 years ago
0
settings version 2
#102
ExpHP
opened
5 years ago
0
Travis: sparse_gnr test is sensitive to number of threads
#101
ExpHP
closed
5 years ago
1
Fast disp fn for kc-z-new
#100
ExpHP
closed
5 years ago
5
DispFn can be massively sped up for KCZ on large unit cells
#99
ExpHP
closed
5 years ago
0
Gamma dynamical matrix does in fact require supercells
#98
ExpHP
opened
5 years ago
4
Dftb+ travis
#97
ExpHP
closed
3 years ago
2
Idea for rotational mode detection
#96
ExpHP
opened
5 years ago
0
Cut out symmetry-finding & reduced cell code
#95
ExpHP
closed
5 years ago
0
No integration tests for dftb+
#94
ExpHP
opened
5 years ago
1
No integration tests for 'scalables' or 'layers.yaml' format
#93
ExpHP
closed
5 years ago
0
No integration tests for more than one ev loop iteration
#92
ExpHP
opened
5 years ago
0
Travis: Failure with 'lost atoms' on GNR
#91
ExpHP
closed
5 years ago
3
Travis: sometimes fails while caching
#90
ExpHP
opened
5 years ago
1
example-inputs aren't maintained
#89
ExpHP
closed
5 years ago
1
configurable search_solutions for sparse solver
#88
ExpHP
opened
5 years ago
0
dftbplus is accidentally required
#87
ExpHP
closed
5 years ago
2
bindgen version mismatch
#86
colin-daniels
opened
5 years ago
5
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