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Daniel Bauer
2021-07-21 16:47:32 +02:00
parent d9a219a36a
commit 35ca1b1317
3 changed files with 3 additions and 3 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 = "1.1.1" version = "1.1.2"
dependencies = [ dependencies = [
"assert_approx_eq", "assert_approx_eq",
"clap", "clap",

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Cargo.toml
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@@ -1,6 +1,6 @@
[package] [package]
name = "wham" name = "wham"
version = "1.1.1" version = "1.1.2"
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
src/cli.yml
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@@ -1,5 +1,5 @@
name: wham name: wham
version: "1.1.1" version: "1.1.2"
author: D. Bauer <bauer@cbs.tu-darmstadt.de> author: D. Bauer <bauer@cbs.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.