Search Results for "angular-templates"

...Charmol is capable of making pictures containing: - from small- to large-size molecules - more molecules together (different settings possible) - orbitals using molden and fchk files (GTO functions up to 'h' angular momentum supported) - surfaces using gaussian cube files (also color-mapped surfaces according to potential) - schematic representation of vibrations using arrows - user-defined arrows representing vectorial properties - measuring gauges - combinations of these features (more orbitals together, orbitals and arrows together etc.) ...

...NanoEngineer-1 is a molecular CAD software written by Nanorex and provides the user an easy way to create molecules, while the software modifications allow the user to type atoms using multiple force fields. PACKMOL can generate a random collection of molecules using the molecule templates from NanoEngineer-1 thus providing the initial MD cell. Modifications to PACKMOL allow the atom type data to be passed through to the MSI2LMP software. MSI2LMP creates a LAMMPS input file based on class I or class II force fields. MSI2LMP was modified to use numerically coded force field data generated by NanoEngineer-1. The MMP file format was extended and integrated into all three software applications. ...

Radial++ is a C++ template library for scattered data interpolation in any dimension and also the numerical solution of partial differential equations. It provides generalized Radial Basis Functions (p.e. multiquadric, this-plate spline, etc).

This C library provides functions for evaluating basic integrals needed in quantum chemistry. It supports primitive cartesian Gaussian basis functions (GTO) of arbitrary angular momentum and is based on the Hermite Gaussian Expansion. The purpose of this library is to have a handy useful implementation.

Quaternion Cubic Spline by James McEnnan Qspline does quaternion interpolation such that the quaternion and angular rate and acceleration vectors are continuous functions of time, while maintaining quaternion normalization. This project releases the core functions (in qspline.c) under the CC0 license (Public Domain). The original project can be found here: http://sourceforge.net/projects/qspline/ The documentation can be found in the original project here: http://qspline.sourceforge.net/qspline.pdf

An implementation of Dantzig-Wolfe decomposition built upon the GNU Linear Programming Kit. This is a command line tool for solving properly decomposed linear programs. There are several examples and some documentation to guide the use of this solver. Forked over to GitHub (see link).

A simplified C language API / library for the iRobot Create / Roomba robots that eliminates the byte transfer oriented style of the original command and sensor data calls. Docs, reworked examples from the Create Command Module, build templates for Win/AV

Qspline does quaternion interpolation such that the quaternion and angular rate and acceleration vectors are continuous functions of time, while maintaining quaternion normalization.

An extension of Code_Aster to add multilingual support to it's varying GUI interfaces included in the default package. Eventually, we also intend to extend Code_Aster by contributing command file templates and extending the analysis abilities.