| |
 |
Details: |
 |
|
|
Ab-initio Fortran 90 programs for molecular electronic structure calculations, designed and maintained by H.-J. Werner and P. J. Knowles.
|
| URL: |
http://www.molpro.net/
|
| Title: |
Molpro quantum chemistry package |
| Image: |
 |
| Description: |
Computers, Programming, Languages, Fortran - MOLPRO. Ab-initio Fortran 90 programs for molecular electronic structure calculations, designed and maintained by H. |
| Similar: |
|
|
|
Related Sites |
|
Co-Array Fortran (Popularity:  ): Small extension to Fortran 95 providing an explicit notation for data decomposition, such as that often used in message-passing models.
Lahey Computer Systems (Popularity: ): Fortran 95/90 and C++ compilers for Linux, Windows Windows.NET, and SPARC Solaris. Also sells Essential Lahey Fortran subset compiler for ...
HicEst (Popularity: ): Incremental compiler and interpreter with interactive Windows graphical user interface designed for immediate results during development of technical or scientific ...
G95 (Popularity: ): Ongoing project to create a free, open source Fortran 95 compiler and runtime libraries. Almost all of Fortran 95 is ...
GAMS : Guide to Available Mathematical Software (Popularity: ): Guide to mathematical software in Fortran held at a small number of US government establishments. Some sources are in commercial ...
Orderpack 1.0 sorting and ranking routines in Fortran 90 (Popularity: ): Public domain package by Michel Olagnon of general and specialized sorting and ranking routines in Fortran 90. Specialized routines include ...
Starlink (Popularity: ): Astronomy software, much in Fortran.
Public Domain Aeronautical Software (PDAS) (Popularity: ): Programs for aeronautical engineering, many from NASA or USAF, complete with public domain source code, instructions and sample cases on ...
High Performance Finite Elements (Popularity: ): Fortran 77 and 90 codes.
Collaborative Computational Projects (Popularity: ): Links to chemistry, physics, and engineering codes, many in Fortran.
Weather Research and Forecasting Model (Popularity: ): Fortran 95 code for real-time weather forecasts.
WIEN 2k (Popularity: ): Fortran 90 code to perform electronic structure calculations of solids using density functional theory (DFT). It is based on the ...
|
|
Popular Sites |
|
The Boundary Element Method (Popularity: ): Manuals and Fortran source codes for the solution of Laplace, Helmholtz and acoustics problems by the boundary element method.
Stanford Business Software (Popularity: ): Sells Fortran 77 optimization codes MINOS (linear programming and nonlinear optimization), SNOPT (large-scale quadratic and nonlinear programming), NPSOL (nonlinear programming), ...
Orderpack 1.0 sorting and ranking routines in Fortran 90 (Popularity: ): Public domain package by Michel Olagnon of general and specialized sorting and ranking routines in Fortran 90. Specialized routines include ...
Diablo95 (Popularity: ): Parallel finite element simulations in Fortran 95.
Co-Array Fortran (Popularity: ): Small extension to Fortran 95 providing an explicit notation for data decomposition, such as that often used in message-passing models.
|
|
|
