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Any library for basic science chemistry/physics programming? [closed]

I am wondering if there is an open source scientific library for chemistry and/or physics for C++ (or maybe C)?

I am NOT looking for simulation models, visualization, 3-d modeling.

I am just looking for a basic toolbox that would have, for example: various constants such as Ideal Gas Constant, Avogadro constant, periodic table of the elements values; molecular weight calculation; maybe basic functions implementing equations for stoichiometry, gas laws, thermal dynamics, kinetics.

Chemistry/Physics 101 kind of stuff.

I have found on SourceForge:

  • Christoph Steinbeck's The Chemical Development Kit (Java) on SourceForge.
  • NIST-const
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Roger Nelson Avatar asked Jan 21 '23 18:01

Roger Nelson


2 Answers

I would take a look at the GNU Scientific Library:

http://www.gnu.org/software/gsl/

It should have most of the physical constants you're looking for. As far as the chemistry related stuff, I don't know of any basic packages that do all of those calculations right out of the box.

Update: I forgot about another project that would have all of the periodic table stuff (and probably more):

http://openbabel.org

specifically check out:

http://openbabel.org/api/2.2.0/classOpenBabel_1_1OBElementTable.shtml#_details

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JoshAdel Avatar answered May 02 '23 00:05

JoshAdel


Since you excluded simulations, PyQuante probably isn't what you're looking for, but you might find kinpy and thermopy interesting.

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Klaus-Dieter Warzecha Avatar answered May 01 '23 22:05

Klaus-Dieter Warzecha