castep-seeding 0.1.3

Create seeding files for castep calculation jobs
Documentation 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55

[dependencies.castep-cell-io]
version = "0.2.18"

[dependencies.castep-param-io]
version = "0.1.2"

[dependencies.castep-periodic-table]
version = "0.5.2"

[dependencies.glob]
version = "0.3.1"

[dependencies.indicatif]
features = ["rayon"]
version = "0.17.11"

[dependencies.rayon]
version = "1.10.0"

[dependencies.serde]
features = ["derive"]
version = "1.0.217"

[dependencies.thiserror]
version = "2.0.8"

[features]
default = ["template"]
elec_excitations = []
elec_field = []
md = []
nmr = []
optics = []
phonon = []
solvation_energy = []
template = []
ts_search = []

[lib]
name = "castep_seeding"
path = "src/lib.rs"

[package]
autobenches = false
autobins = false
autoexamples = false
autolib = false
autotests = false
build = false
description = "Create seeding files for castep calculation jobs"
edition = "2021"
license = "MIT"
name = "castep-seeding"
readme = "README.md"
version = "0.1.3"