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Releases: electronic-structure/SIRIUS

SIRIUS/6.1.0

04 Mar 17:06
@toxa81 toxa81
v6.1.0
d376b2e
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SIRIUS/6.1.0

Bug-fixes and optimisations, related to the calculations of large unit cells. Now ~2.5K unit cell of SrTi1-xCrxO3 runs without crashes.

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SIRIUS/6.0.0

09 Jan 15:48
@toxa81 toxa81
v6.0.0
efb593b
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SIRIUS/6.0.0

A New Year release contains:

  • fixes for the multi-gpu case
  • basic functionality of the acc:: namespace for ROCm
  • minor clean-ups
Assets 2
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SIRIUS/5.9.0

11 Dec 12:08
@toxa81 toxa81
v5.9.0
65b98c9
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SIRIUS/5.9.0 Pre-release
Pre-release

Optimization of performance and memory consumption.

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SIRIUS/5.8.7

19 Nov 12:34
@toxa81 toxa81
v5.8.7
a6ee5f3
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SIRIUS/5.8.7 Pre-release
Pre-release

In this release:

  • improvements in performance and memory management
  • minor updates of the documentation
Assets 2
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SIRIUS/5.8.6

06 Nov 13:14
@toxa81 toxa81
v5.8.6
c9ae51d
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SIRIUS/5.8.6

Test stable release

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SIRIUS/5.8.5

05 Nov 14:39
@toxa81 toxa81
v5.8.5
47a0b88
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SIRIUS/5.8.5 Pre-release
Pre-release

Test release cycle

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SIRIUS/5.8.4

26 Oct 13:50
@toxa81 toxa81
v5.8.4
69345ca
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SIRIUS/5.8.4 Pre-release
Pre-release

testing the release cycle

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SIRIUS/5.8.3

24 Oct 11:06
@toxa81 toxa81
v5.8.3
7d0c882
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SIRIUS/5.8.3
  • update of F90 interface
  • update of Python interface
Assets 2
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SIRIUS/5.8.2

03 Oct 09:58
@toxa81 toxa81
v5.8.2
0883d8f
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SIRIUS/5.8.2 Pre-release
Pre-release

Test CMake

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SIRIUS/5.8.1

17 Sep 14:20
@toxa81 toxa81
v5.8.1
faf052e
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SIRIUS/5.8.1 Pre-release
Pre-release

Updates in:

  • memory pool implementation
  • spline end points
  • verbose error messages
Assets 2
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