maths_thread_safe.f90 File Reference

Implement thread-safe mathematical subroutines which deals with RGN. More...

Functions/Subroutines
subroutine	ggnml_thread_safe (gaus)
	Generate 3 gaussian random number.
subroutine	ggubs_thread_safe (unif)
	Generate an uniform distributed number between 0 and 1.

Detailed Description

Implement thread-safe mathematical subroutines which deals with RGN.

Version

{version 7.2.3 (2019)}

Copyright (c) 2009, 2010, 2015, 2016, 2019 Heidelberg Institute of Theoretical Studies (HITS, www.h-its.org) Schloss-Wolfsbrunnenweg 35 69118 Heidelberg, Germany

Please send your contact address to get information on updates and new features to "mcmsoft@h-its.org". Questions will be answered as soon as possible.

References: see also http://mcm.h-its.org/sda7/do:c/doc_sda7/references.html:

Brownian dynamics simulation of protein-protein diffusional encounter. (1998) Methods, 14, 329-341.

SDA 7: A modular and parallel implementation of the simulation of diffusional association software. Journal of computational chemistry 36.21 (2015): 1631-1645.

Authors: M.Martinez, A.Muñiz-Chicharro, R.Beccaria N.J.Bruce, J.Romanowska, D.B.Kokh, P.Mereghetti, X. Yu, M. Ozboyaci, M. Reinhardt, P. Friedrich, R.R.Gabdoulline, S.Richter and R.C.Wade

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see Random Number Generator sectionTheses subroutine call different generator depending if the compilation was done with OpenMP.\nAllow the same function call, but a different implementation

Function/Subroutine Documentation

ggnml_thread_safe()

subroutine ggnml_thread_safe

(

real ( kind=8 ), dimension ( 3 ), intent(out)

gaus

)

Generate 3 gaussian random number.

Gaussian with mean 0 and variance 1 Safe function to call, in all cases

Returns

gauss : array of 3 random generated numbers

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ggubs_thread_safe()

subroutine ggubs_thread_safe

(

real ( kind=8 ), intent(out)

unif

)

Generate an uniform distributed number between 0 and 1.

Thread-safe function

Returns

unif : random number

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