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Albert Bartok-Partay
Andrew Morris
Andrew Turner
Andrew Walkingshaw
Anthony Reilly
Bjoern Winkler
Build Bot
Carol Malpass
Chris Pickard
Christopher Armstrong
Dan Wilson
Daniel Jones
David Quigley
David Worth
Dominik Jochym
Filippo Spiga
Francesco Mauri
Iain Bethune
Ian Bush
Joanne Carr
Jolyon Aarons
Jonathan Yates
Jörg Meyer
Julian Gale
Karen McIntyre
Keith Refson
Kevin Roy
Leonardo Bernasconi
Lucian Anton
Martin Dove
Martin Plummer
Matt Probert
Michael Rutter
Mike Payne
Ming-Hsien Lee
Nicholas Hine
Peter Brommer
Peter Byrne
Peter Haynes
Phil Hasnip
Rafael Pappalardo
Rob Allan
Shawn Chin
Simone Sturniolo
Stewart Clark
Thomas Hollins
Tristan Youngs
Victor Milman
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15
Finite-displacement phonons : devel_code SECONDD_DENSITY_SCHEME needs to be regularised
3
Keith Refson
Keith Refson
Closed
2008-04-17
2008-09-02
2008-09-02
16
Elastic constant calculations without MS interface
3
Dan Wilson
Keith Refson
Closed
2008-04-17
2012-04-04
2012-04-04
17
Manual needed
2
Dominik Jochym
Keith Refson
Open
2008-04-17
2009-05-12
18
Release anisotropic minimum image supercell algorithm
3
Keith Refson
Keith Refson
Closed
2008-04-22
2008-09-26
2008-09-26
20
Refomulate ZPE and FE calculation to work without interpolation
4
Keith Refson
Keith Refson
Closed
2008-05-12
2009-06-26
2009-06-26
21
Add new unit "esu" for polarisability
5
Chris Pickard
Keith Refson
Open
2008-05-14
2008-07-23
22
Lower default ELEC_ENERGY_TOL for geometry opt calculation
4
Nobody
Keith Refson
Closed
2008-05-14
2009-09-03
2009-09-03
56
Merge CML branch code with current codebase
3
Keith Refson
Keith Refson
Closed
2008-08-08
2008-09-02
2008-09-02
58
Write .check file after singlepoint in 2-stage calculation
4
Matt Probert
Keith Refson
Closed
2008-09-02
2009-07-23
2009-07-23
59
Fix basis_initialize on continuation using task k-points and not SPE set
3
Nobody
Keith Refson
Open
2008-09-02
2008-09-02
67
New tasks CUTOFF_TEST and KPOINT_TEST
3
Phil Hasnip
Keith Refson
Open
2008-10-14
2009-02-11
79
Mention GRID_SCALE and FINE_GRID_SCALE/GMAX in BFGS warning messages
5
Matt Probert
Keith Refson
Closed
2008-11-18
2009-07-14
2009-07-14
82
Generate high-symmetry orientations of cell for LATTICE_ABC
3
Keith Refson
Keith Refson
Closed
2008-12-02
2009-01-21
2009-01-21
83
Enable 1x1x1 supercell phonon calculation as continuation of non-supercell
4
Keith Refson
Keith Refson
Closed
2008-12-02
2009-06-26
2009-06-26
85
Improve some error messages about kpoint_weights
4
Stewart Clark
Keith Refson
Closed
2008-12-04
2009-09-09
2009-09-09
86
Input parameters should allow rational fractions
5
Keith Refson
Keith Refson
Open
2008-12-04
2008-12-04
94
constraints
3
Jonathan Yates
Jonathan Yates
Open
2009-01-02
2010-07-01
104
Write predictive routine for k-point count/distribution during phonon run
3
Keith Refson
Keith Refson
Closed
2009-02-10
2009-06-24
2009-06-24
108
wave release memory
3
Phil Hasnip
Jonathan Yates
Open
2009-02-14
2009-02-14
115
Add facility to combine partial phonon calcs from separate runs
3
Keith Refson
Keith Refson
Open
2009-03-25
2009-03-25
116
Remove special case handling of BS_MAX_CG_STEPS and BS_MAX_ITER from parameters
3
Matt Probert
Keith Refson
Closed
2009-04-01
2009-07-13
2009-07-13
137
Phonon parameters change request for next release
3
Matt Probert
Keith Refson
Closed
2009-06-15
2009-07-15
2009-07-15
138
Updates to parameters for THERMODYNAMICS
3
Matt Probert
Keith Refson
Closed
2009-06-26
2009-07-13
2009-07-13
144
QMC pseudos
3
Nobody
cecil n. m. ouma
Closed
2009-07-03
2010-03-20
2010-03-20
157
Add Hirshfeld analysis for spins
3
Matt Probert
Victor Milman
Closed
2009-07-10
2010-06-30
2010-06-30
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