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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]]
name = "wham"
version = "0.9.9"
version = "1.0.0"
dependencies = [
"assert_approx_eq",
"clap",

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