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Any library for fundamental chemistry science / programming physics?

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

I am NOT looking for modeling, visualization, three-dimensional modeling.

I'm just looking for a basic set of tools that would have, for example: various constants, such as Ideal Gas Constant, Avogadro constant, periodic table of element values; molecular weight calculation; perhaps basic functions that implement equations for stoichiometry, gas laws, thermal dynamics, kinetics.

Chemistry / Physics 101 kinds of things.

I found on SourceForge:

  • Christoph Steinbeck The Chemical Development Kit (Java) at SourceForge.
  • Nist-const
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5 answers

I would take a look at the GNU Science Library:

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

It should have most of the physical constants you are looking for. As for the material related to chemistry, I do not know any basic packages that do all these calculations right out of the box.

Update: I forgot about another project that will have all the periodic tables (and probably more):

http://openbabel.org

specially check:

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

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Since you excluded the simulations, PyQuante is probably not what you are looking for, but you can find kinpy and thermopy interesting.

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I really like this book:

http://www.amazon.com/Physics-Game-Programmers-Grant-Palmer/dp/159059472X

I have physics formulas there, and the source code is available online:

http://apress.com/book/view/159059472X

I haven’t seen much in chemistry. Physics is more popular because it has a direct impact on games, of course. :-)

Update: several in chemistry:

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Kalzium , part of the KDE tools. Periodic table plus (based on screenshots) equation solver and much more.

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In high energy physics, two common libraries / frameworks are C ++ CLHEP and ROOT . Both of them contain units and physical constants - see, for example, CLHEP Blocks . CLHEP also contains many libraries for linear algebra, while ROOT has many tools for data analysis.

Perhaps not quite what you are looking for, but may be useful to someone

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Source: https://habr.com/ru/post/1315862/

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