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GAMESS-UK
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2013-Apr-05
22:36:03
Commit: added textual arguments to gmem_check_guards. This routine must have been neglected when the routine was changed.
Paul Sherwood
2013-Mar-22
13:36:02
Commit: corrected typo in commun (should be mark(1500)
Joop van Lenthe
2013-Mar-08
10:10:06
Commit: fixed com mon thanks to Tom and builbot
Joop van Lenthe
2013-Mar-07
20:54:13
Commit: The code for incore sorting
Joop van Lenthe
20:37:55
Commit: for incore sorting
Joop van Lenthe
20:35:19
Commit: added incs diective - incore sorting
Joop van Lenthe
11:55:55
Commit: removed qq and added vcore
Joop van Lenthe
11:50:35
Commit: removed q from transformvb call
Joop van Lenthe
11:43:46
Commit: removed qq and added vcore
Joop van Lenthe
2013-Feb-10
12:14:48
Commit: Petar made a fix for big basis sets
Joop van Lenthe
2013-Feb-06
12:48:03
Commit: documentation for second-order vbscf
Zahid Rashid
12:46:35
Commit: common for second-order vbscf and unitary (orthogonal VB)
Zahid Rashid
12:43:22
Commit: Second-order scf module for nonorthogonal orbitals + Orthogonal VB (By Joop) For usage see documentation of TURTLE NOTE: The parallel version is still in progress and will follow soon.
Zahid Rashid
12:39:39
Commit: Second-order scf module for nonorthogonal orbitals For usage see documentation of TURTLE NOTE: The parallel version is still in progress and will follow soon.
Zahid Rashid
2013-Jan-31
11:22:14
Commit: BlueGene/Q config file (Blue Joule)
Thomas Keal
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Description
GAMESS-UK is the general purpose ab
initio molecular electronic structure
program for performing SCF-, DFT- and
MCSCF-gradient calculations, together
with a variety of techniques for post
Hartree Fock calculations.
Project Admins
Jens Thomas
Paul Sherwood
Joop van Lenthe
John Kendrick
Martyn Guest
Zahid Rashid
Trove Categorization
Development Status: 5 - Production/Stable
Intended Audience: Developers
License: Other/Proprietary License
Programming Language: C,
Fortran
Topic: CCP1,
Scientific/Engineering