From d48f938b7b24aee84a02f6c69b9dc2d5c36675b3 Mon Sep 17 00:00:00 2001 From: Alexander Spears Date: Wed, 12 Jun 2024 15:34:08 +0100 Subject: [PATCH] Built site for gh-pages --- .nojekyll | 2 +- index.html | 27 +++++++++++++++++++++++---- 2 files changed, 24 insertions(+), 5 deletions(-) diff --git a/.nojekyll b/.nojekyll index 97aac94..38f9fbd 100644 --- a/.nojekyll +++ b/.nojekyll @@ -1 +1 @@ -57d16b28 \ No newline at end of file +e5bcc8ea \ No newline at end of file diff --git a/index.html b/index.html index aa097c2..b9835aa 100644 --- a/index.html +++ b/index.html @@ -11,7 +11,7 @@ - index + Running nonadiabatic MD in Julia @@ -390,7 +390,20 @@
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Running nonadiabatic MD in Julia

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A look under the hood of the NQCD packages

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+Alex Spears +
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06.04.2024

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Analysis methods for post-processing

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src/structure.jl - Basic functions for atomic structure, e.g. distance across PBC, centre of mass

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src/Analysis/Analysis.jl - Submodules for analysis type, e.g. functions for diatomic molecules in diatomic.jl.

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src/structure.jl

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  • Basic functions for atomic structure, e.g. distance across PBC, centre of mass
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src/Analysis/Analysis.jl

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  • Submodules for analysis type, e.g. functions for diatomic molecules in diatomic.jl.
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A new model?