| Commit message (Collapse) | Author | Age | Files | Lines |
|
|
|
|
|
|
|
| |
PR: 57860
Submitted by: Mykola Khotyaintsev <ko@nest.irfu.se>
Notes:
svn path=/head/; revision=105088
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| |
based upon the DFT++ algebraic framework introduced in Computer
Physics Communications 128, 1-45 (June 2000).
This framework allows us to transparently separate the computational
guts (cache optimization, parallelization, etc.) from the introduction
of new representations (plane waves, wavelets) and new
physics (new density functionals, linear response theory,
dielectric solutions).
The software is fully cache and register optimized,
and runs in serial, threaded, MPI and mixed threaded-MPI
parallel environments.
Notes:
svn path=/head/; revision=104696
|
|
|
|
|
|
|
|
|
|
|
| |
high-accuracy calculations of properties of small to medium-sized molecules.
The package's current capabilities include a variety of Hartree-Fock,
coupled cluster, complete-active-space self-consistent-field,
and multi-reference configuration interaction models.
Molecular point-group symmetry is utilized throughout to maximize efficiency.
Notes:
svn path=/head/; revision=104605
|
|
|
|
|
|
|
|
| |
PR: ports/64249
Submitted by: Shin'ya Murakami <murakami@ahs.scitec.kobe-u.ac.jp>
Notes:
svn path=/head/; revision=104002
|
|
|
|
|
|
|
|
|
|
| |
quantities for Ruby.
PR: ports/64248
Submitted by: Shin'ya Murakami <murakami@ahs.scitec.kobe-u.ac.jp>
Notes:
svn path=/head/; revision=103999
|
|
|
|
|
|
|
|
|
|
| |
Add ruby-dcl-gtk, a slave port for ruby-dcl with gtk patches.
PR: ports/62873, ports/62874
Submitted by: <murashin@edamame.summing.com>
Notes:
svn path=/head/; revision=102331
|
|
|
|
|
|
|
|
| |
PR: ports/62872
Submitted by: Shin'ya Murakami <murashin@edamame.summing.com>
Notes:
svn path=/head/; revision=102323
|
|
|
|
|
|
|
|
| |
PR: ports/62871
Submitted by: Shin'ya Murakami <murashin@edamame.summing.com>
Notes:
svn path=/head/; revision=102319
|
|
|
|
| |
Notes:
svn path=/head/; revision=102144
|
|
|
|
|
|
|
|
|
|
|
|
|
| |
is an open source genealogy program. It is written in Python, using the
GTK/GNOME interface.
WWW: http://gramps.sourceforge.net
PR: ports/62171
Submitted by: Andreas Fehlner <fehlner@gmx.de>
Notes:
svn path=/head/; revision=99667
|
|
|
|
|
|
|
|
| |
PR: 58178
Submitted by: Pedro F. Giffuni <giffunip@yahoo.com>
Notes:
svn path=/head/; revision=93381
|
|
|
|
|
|
|
| |
A real 3-D molecule viewer
Notes:
svn path=/head/; revision=92020
|
|
|
|
|
|
|
| |
chemtool-devel is now real developer version of chemtool.
Notes:
svn path=/head/; revision=90198
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| |
The Acoustic ToolBox includes four acoustic models:
BELLHOP: A beam/ray trace code
KRAKEN: A normal mode code
SCOOTER: A finite element FFP code
SPARC: A time domain FFP code
A common input structure has been used throughout so that
only minor modifications are needed to switch from one
program to another.
All the models produce shade files which can be processed
using a common set of plotting routines to plot transmission
loss vs. range or vs. range and depth. These plotting
routines are contained in the GLOBAL directory.
PR: ports/42378
Submitted by: Heiner Strauss <heiner@bilch.com>
Notes:
svn path=/head/; revision=88803
|
|
|
|
|
|
|
|
|
| |
This program package calcluates virtually exact solution of the
Hartree-Fock and Hartree-Fock-Salter equations for diatomic
molecules (distributed under GPL).
Notes:
svn path=/head/; revision=85513
|
|
|
|
|
|
|
|
|
| |
since the upgrade of chemtool.
Pointy hat to: maho
Notes:
svn path=/head/; revision=85397
|
|
|
|
|
|
|
|
|
|
|
| |
Chemtool is a nice drawing tool for chemist, however,
it has not been released almost 1 year. So I added
developer version as -devel.
Have fun!
Notes:
svn path=/head/; revision=80580
|
|
|
|
|
|
|
| |
a computational chemistry software package
Notes:
svn path=/head/; revision=80095
|
|
|
|
|
|
|
|
| |
PR: 50539
Submitted by: Pav Lucistnik <pav@oook.cz>
Notes:
svn path=/head/; revision=78562
|
|
|
|
|
|
|
|
| |
PR: 50538
Submitted by: Pav Lucistnik <pav@oook.cz>
Notes:
svn path=/head/; revision=78560
|
|
|
|
|
|
|
| |
MIT Photonic-Bands
Notes:
svn path=/head/; revision=78158
|
|
|
|
|
|
|
| |
Control Language Library
Notes:
svn path=/head/; revision=78126
|
|
|
|
|
|
|
| |
Chemistry file translation program
Notes:
svn path=/head/; revision=72577
|
|
|
|
|
|
|
| |
A program calculating Feynman diagrams
Notes:
svn path=/head/; revision=68091
|
|
|
|
|
|
|
| |
A quick way to visualize regularly spaced 4D data
Notes:
svn path=/head/; revision=68054
|
|
|
|
|
|
|
|
|
|
| |
An Open Source program library for molecular simulation applications
PR: 42332
Submitted by: Glenn Johnson <glennpj@charter.net>
Notes:
svn path=/head/; revision=66428
|
|
|
|
|
|
|
| |
OpenGL gravitational lens simulator
Notes:
svn path=/head/; revision=64210
|
|
|
|
|
|
|
| |
A set of software tools for medical image processing
Notes:
svn path=/head/; revision=63376
|
|
|
|
|
|
|
|
| |
PR: 40631
Submitted by: Nakata Maho <chat95@mbox.kyoto-inet.or.jp>
Notes:
svn path=/head/; revision=63072
|
|
|
|
|
|
|
|
|
|
| |
Ocean Acoustics and Seismic Exploration Synthesis
PR: 38548
Submitted by: Heiner Strau? <heiner@bilch.com>
Notes:
svn path=/head/; revision=60166
|
|
|
|
|
|
|
| |
A program computes with real and complex numbers and matrices
Notes:
svn path=/head/; revision=59056
|
|
|
|
|
|
|
| |
The MayaVi Data Visualizer
Notes:
svn path=/head/; revision=55764
|
|
|
|
|
|
|
| |
Display and manipulation of isolated molecules and periodic systems
Notes:
svn path=/head/; revision=55550
|
|
|
|
|
|
|
|
|
|
| |
Chemical Elements.
PR: 33412
Submitted by: Seamus Venasse <svenasse@polaris.ca>
Notes:
svn path=/head/; revision=54347
|
|
|
|
|
|
|
| |
An OpenGL-based volumetric visualization program for scientific datasets
Notes:
svn path=/head/; revision=52815
|
|
|
|
|
|
|
|
| |
PR: 32997
Submitted by: Chia-Hsing Yu <davidyu@oio.cx>
Notes:
svn path=/head/; revision=51781
|
|
|
|
| |
Notes:
svn path=/head/; revision=48029
|
|
|
|
|
|
|
|
| |
PR: ports/27981
Submitted by: Chi Zhang <chizhang@midway.uchicago.edu>
Notes:
svn path=/head/; revision=47761
|
|
|
|
|
|
|
|
|
|
| |
and program.
PR: 26908
Submitted by: batman <batman@udel.edu>
Notes:
svn path=/head/; revision=43795
|
|
|
|
| |
Notes:
svn path=/head/; revision=42385
|
|
|
|
|
|
|
| |
applications by CERN.
Notes:
svn path=/head/; revision=42384
|
|
|
|
|
|
|
|
|
|
| |
Chemtool is a program for drawing organic molecules easily and store them
as an Postscript, X-Bitmap, LaTeX and XFig file
ps. first science ports ?
Notes:
svn path=/head/; revision=40601
|
|
Notes:
svn path=/head/; revision=40323
|