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update to Tinker version 25.2 & sync with Tinker-FFE
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LICENSE.pdf

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bench/0README

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BENCH Directory for the Tinker Package
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######################################
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This directory contains a set of benchmark exercises for
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the Tinker program package. Each exercise is invoked by
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executing a corresponding .run file. The "results" files
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contain CPU times on various machine types for the current
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and previous releases of Tinker.
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This directory contains a set of benchmark exercises for the
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Tinker program package. Each exercise is invoked by executing
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a corresponding .run file. The "results" files contain CPU
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times on various machine types for the current and previous
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releases of Tinker.
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bench/bench3.log

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### ###
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### Tinker --- Software Tools for Molecular Design ###
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## ##
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## Version 25.1 February 2025 ##
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## Version 25.2 May 2025 ##
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## Copyright (c) Jay William Ponder 1990-2025 ##
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### All Rights Reserved ###

bench/bench4.log

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### ###
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### Tinker --- Software Tools for Molecular Design ###
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## ##
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## Version 25.1 February 2025 ##
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## Version 25.2 May 2025 ##
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## ##
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## Copyright (c) Jay William Ponder 1990-2025 ##
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### All Rights Reserved ###

bench/bench5.log

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### ###
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### Tinker --- Software Tools for Molecular Design ###
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## Version 25.1 February 2025 ##
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## Version 25.2 May 2025 ##
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## Copyright (c) Jay William Ponder 1990-2025 ##
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### All Rights Reserved ###

bench/bench6.log

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### ###
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### Tinker --- Software Tools for Molecular Design ###
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## ##
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## Version 25.1 February 2025 ##
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## Version 25.2 May 2025 ##
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## Copyright (c) Jay William Ponder 1990-2025 ##
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### All Rights Reserved ###

bench/bench7.log

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### ###
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### Tinker --- Software Tools for Molecular Design ###
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## Version 25.1 February 2025 ##
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## Version 25.2 May 2025 ##
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## ##
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## Copyright (c) Jay William Ponder 1990-2025 ##
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### All Rights Reserved ###

bench/bench8.log

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### ###
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### Tinker --- Software Tools for Molecular Design ###
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## ##
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## Version 25.1 February 2025 ##
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## Version 25.2 May 2025 ##
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## ##
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## Copyright (c) Jay William Ponder 1990-2025 ##
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### All Rights Reserved ###

bench/bench9.log

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### ###
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### Tinker --- Software Tools for Molecular Design ###
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## Version 25.1 February 2025 ##
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## Version 25.2 May 2025 ##
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## ##
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## Copyright (c) Jay William Ponder 1990-2025 ##
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### All Rights Reserved ###

doc/ffe-guide.pdf

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