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FreeBSD science : abinit

Abinit calculates electronic structure of systems

 ABINIT is a package whose main program allows one to find
the total energy, charge density and electronic structure of
systems made of electrons and nulcei (molecules and periodic
solids) within Density Functional Theory (DFT), using pseudo-
potentials and a planewave basis. 

http://www.abinit.org/



abinit history


v. 1.10
date: 2007/09/30 04:47:22;  author: linimon;  state: Exp;  lines: +5 -1
Switch autoconf dependencies from 2.53 or 2.59 to 2.61.

PR:		ports/116639
Submitted by:	aDe

v. 1.9 date: 2007/07/14 10:14:28; author: maho; state: Exp; lines: +1 -5 Now we use USE_FORTRAN=yes to use FORTRAN compiler.
v. 1.8 date: 2007/03/16 03:04:18; author: maho; state: Exp; lines: +2 -5 Temporary place distfile at maho/public_distdir. Submitted by: kris
v. 1.7 date: 2007/02/25 06:52:47; author: maho; state: Exp; lines: +4 -0 A possible fix for fenner's distfile survey. Submitted by: fenner
v. 1.6 date: 2007/01/17 04:24:48; author: maho; state: Exp; lines: +26 -67 * Update to 5.2.4 * make fetchable (fenner) * Migrate to gfortran. * Use gfortran compiled atlas/blas/lapack.
v. 1.5 date: 2006/05/13 04:14:54; author: edwin; state: Exp; lines: +0 -1 Remove USE_REINPLACE from all categories starting with S
v. 1.4 date: 2006/01/22 03:41:32; author: maho; state: Exp; lines: +1 -1 Update to 4.6.5 Notified by: fenner, kris, and edwin
v. 1.3 date: 2005/10/30 09:24:40; author: maho; state: Exp; lines: +1 -1 update to 4.4.5, and make fetchable Submitted by: kris, linimon, fenner
v. 1.2 date: 2005/10/10 05:54:08; author: maho; state: Exp; lines: +7 -8 Update to 4.4.4 (preferred production version, robust) Submitted by: edwin
v. 1.1 date: 2004/08/14 08:45:42; author: maho; state: Exp; Add abinit, calculates total energy, charge density and electronic structure of systems. ============================================================================= v. 1.10 date: 2007/09/30 04:47:22; author: linimon; state: Exp; lines: +5 -1 Switch autoconf dependencies from 2.53 or 2.59 to 2.61. PR: ports/116639 Submitted by: aDe
v. 1.9 date: 2007/07/14 10:14:28; author: maho; state: Exp; lines: +1 -5 Now we use USE_FORTRAN=yes to use FORTRAN compiler.
v. 1.8 date: 2007/03/16 03:04:18; author: maho; state: Exp; lines: +2 -5 Temporary place distfile at maho/public_distdir. Submitted by: kris
v. 1.7 date: 2007/02/25 06:52:47; author: maho; state: Exp; lines: +4 -0 A possible fix for fenner's distfile survey. Submitted by: fenner
v. 1.6 date: 2007/01/17 04:24:48; author: maho; state: Exp; lines: +26 -67 * Update to 5.2.4 * make fetchable (fenner) * Migrate to gfortran. * Use gfortran compiled atlas/blas/lapack.
v. 1.5 date: 2006/05/13 04:14:54; author: edwin; state: Exp; lines: +0 -1 Remove USE_REINPLACE from all categories starting with S
v. 1.4 date: 2006/01/22 03:41:32; author: maho; state: Exp; lines: +1 -1 Update to 4.6.5 Notified by: fenner, kris, and edwin
v. 1.3 date: 2005/10/30 09:24:40; author: maho; state: Exp; lines: +1 -1 update to 4.4.5, and make fetchable Submitted by: kris, linimon, fenner
v. 1.2 date: 2005/10/10 05:54:08; author: maho; state: Exp; lines: +7 -8 Update to 4.4.4 (preferred production version, robust) Submitted by: edwin
v. 1.1 date: 2004/08/14 08:45:42; author: maho; state: Exp; Add abinit, calculates total energy, charge density and electronic structure of systems. ============================================================================= v. 1.10 date: 2007/09/30 04:47:22; author: linimon; state: Exp; lines: +5 -1 Switch autoconf dependencies from 2.53 or 2.59 to 2.61. PR: ports/116639 Submitted by: aDe
v. 1.9 date: 2007/07/14 10:14:28; author: maho; state: Exp; lines: +1 -5 Now we use USE_FORTRAN=yes to use FORTRAN compiler.
v. 1.8 date: 2007/03/16 03:04:18; author: maho; state: Exp; lines: +2 -5 Temporary place distfile at maho/public_distdir. Submitted by: kris
v. 1.7 date: 2007/02/25 06:52:47; author: maho; state: Exp; lines: +4 -0 A possible fix for fenner's distfile survey. Submitted by: fenner
v. 1.6 date: 2007/01/17 04:24:48; author: maho; state: Exp; lines: +26 -67 * Update to 5.2.4 * make fetchable (fenner) * Migrate to gfortran. * Use gfortran compiled atlas/blas/lapack.
v. 1.5 date: 2006/05/13 04:14:54; author: edwin; state: Exp; lines: +0 -1 Remove USE_REINPLACE from all categories starting with S
v. 1.4 date: 2006/01/22 03:41:32; author: maho; state: Exp; lines: +1 -1 Update to 4.6.5 Notified by: fenner, kris, and edwin
v. 1.3 date: 2005/10/30 09:24:40; author: maho; state: Exp; lines: +1 -1 update to 4.4.5, and make fetchable Submitted by: kris, linimon, fenner
v. 1.2 date: 2005/10/10 05:54:08; author: maho; state: Exp; lines: +7 -8 Update to 4.4.4 (preferred production version, robust) Submitted by: edwin
v. 1.1 date: 2004/08/14 08:45:42; author: maho; state: Exp; Add abinit, calculates total energy, charge density and electronic structure of systems. =============================================================================



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