ExpHP rsp2 issues - Githubissues

ExpHP / 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 1 year ago
3
Bump enum-map from 0.4.1 to 2.0.2

#134 dependabot[bot] closed 1 year ago
1
Bump array-macro from 1.0.2 to 1.0.5

#133 dependabot[bot] closed 1 year ago
2
Bump ordered-float from 1.0.1 to 1.1.1

#132 dependabot[bot] closed 1 year 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 1 year ago
2
Bump crossbeam-utils from 0.8.1 to 0.8.8

#129 dependabot[bot] closed 1 year ago
2
Bump stack from 0.3.0 to 0.3.1

#128 dependabot[bot] closed 1 year ago
2
Bump crossbeam-deque from 0.8.0 to 0.8.1

#127 dependabot[bot] closed 1 year ago
2
Bump pillow from 8.1.0 to 9.0.1 in /scripts

#126 dependabot[bot] closed 1 year 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 2 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 2 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 4 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