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Daniel Bauer
2020-10-26 10:46:23 +01:00
parent 69d0c7ca00
commit ffab55e0e1
4 changed files with 4 additions and 4 deletions
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2
Cargo.lock generated
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@@ -362,7 +362,7 @@ checksum = "cccddf32554fecc6acb585f82a32a72e28b48f8c4c1883ddfeeeaa96f7d8e519"
[[package]] [[package]]
name = "wham" name = "wham"
version = "0.9.9" version = "1.0.0"
dependencies = [ dependencies = [
"assert_approx_eq", "assert_approx_eq",
"clap", "clap",

2
Cargo.toml
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@@ -1,6 +1,6 @@
[package] [package]
name = "wham" name = "wham"
version = "0.9.9" version = "1.0.0"
authors = ["Daniel Bauer <bauer@cbs.tu-darmstadt.de>"] authors = ["Daniel Bauer <bauer@cbs.tu-darmstadt.de>"]
description = "An implementation of the weighted histogram analysis method" description = "An implementation of the weighted histogram analysis method"
license = "GPL-3.0" license = "GPL-3.0"

2
README.md
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@@ -40,7 +40,7 @@ wham has a convenient command line interface. You can see all options with
```wham -h```: ```wham -h```:
``` ```
wham 0.9.9 wham 1.0.0
D. Bauer <bauer@bio.tu-darmstadt.de> D. Bauer <bauer@bio.tu-darmstadt.de>
wham is a fast implementation of the weighted histogram analysis method (WHAM) written in Rust. It currently supports wham is a fast implementation of the weighted histogram analysis method (WHAM) written in Rust. It currently supports
potential of mean force (PMF) calculations in multiple dimensions at constant temperature. potential of mean force (PMF) calculations in multiple dimensions at constant temperature.

2
src/cli.yml
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@@ -1,5 +1,5 @@
name: wham name: wham
version: "0.9.9" version: "1.0.0"
author: D. Bauer <bauer@bio.tu-darmstadt.de> author: D. Bauer <bauer@bio.tu-darmstadt.de>
about: | about: |
wham is a fast implementation of the weighted histogram analysis method (WHAM) written in Rust. It currently supports potential of mean force (PMF) calculations in multiple dimensions at constant temperature. wham is a fast implementation of the weighted histogram analysis method (WHAM) written in Rust. It currently supports potential of mean force (PMF) calculations in multiple dimensions at constant temperature.