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update version numbers

This commit is contained in:
Pietro Delugas 2025-07-02 09:45:01 +02:00
parent d0ec2374c3
commit ee2ae0f744
4 changed files with 18 additions and 16 deletions
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2
CMakeLists.txt
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@ -13,7 +13,7 @@ cmake_minimum_required(VERSION 3.20 FATAL_ERROR)
set(CMAKE_POLICY_DEFAULT_CMP0048 NEW)
project(qe
VERSION 7.4
VERSION 7.5
DESCRIPTION "ESPRESSO: opEn-Source Package for Research in Electronic Structure, Simulation, and Optimization"
LANGUAGES Fortran C)

28
Doc/release-notes
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@ -1,16 +1,6 @@
Fixed in development version:
* Problem with too short variable holding tag name when reading UPF files,
occurring only for some fully-relativistic pseudopotentials
* Warning on poor testing of Berry Phase calculation removed, thanks to
accurate testing performed by Riccardo Dal Molin and Antimo Marrazzo.
* Symmetrization glitches on many processors (reported by Yunqi Shao)
* Crash for noncolinear PAW case on many processors (reported by I. Timrov)
* The HP code for the magnetic noncollinear case had a bug
when symmetry was used (some symmetry arrays were not re-initialized
when perturbing Hubbard atoms) and the magnetization direction flip was
missing in the Hubbard term (for the second Sternheimer equation) (fixed by L. Binci)
New in development version:
New in 7.5 version:
* New Orbital Resolved DFT+U method -E. Macke, I. Timrov
(see Macke et al. JCTC 2024 20 (11), 4824-4843)
* Interface between Wannier90 and DFT+U to use Wannier functions as
Hubbard projectors (I. Timrov, A. Carta, C. Ederer et al., arXiv:2411.03937)
* Extension of pp.x to visualize Hubbard projectors of DFT+U (I. Timrov)
@ -23,6 +13,18 @@ New in development version:
* Implemented NVT dynamics with Nose-Hoover thermostats with Verlet and velocity-Verlet engines
* Implemented NPT dynamics with Nose-Hoover thermostats, Parrinello-Rahman and Wentzcovich barostats and Beeman MD engine.
Fixed in 7.5 version:
* Problem with too short variable holding tag name when reading UPF files,
occurring only for some fully-relativistic pseudopotentials
* Warning on poor testing of Berry Phase calculation removed, thanks to
accurate testing performed by Riccardo Dal Molin and Antimo Marrazzo.
* Symmetrization glitches on many processors (reported by Yunqi Shao)
* Crash for noncolinear PAW case on many processors (reported by I. Timrov)
* The HP code for the magnetic noncollinear case had a bug
when symmetry was used (some symmetry arrays were not re-initialized
when perturbing Hubbard atoms) and the magnetization direction flip was
missing in the Hubbard term (for the second Sternheimer equation) (fixed by L. Binci)
Fixed in 7.4.1 version:
* Error in qexml_init might cause EPW to fail in some cases
* Case tefield=.true.: bad xml tag written

2
PW/Doc/user_guide.tex
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@ -1,5 +1,5 @@
\documentclass[12pt,a4paper]{article}
\def\version{7.4}
\def\version{7.5}
\def\PWscf{\texttt{PWscf}}
\def\qe{{\sc Quantum ESPRESSO}}

2
include/qe_version.h
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@ -7,4 +7,4 @@
!
! global version number
!
CHARACTER (LEN=6) :: version_number = '7.4.1'
CHARACTER (LEN=6) :: version_number = '7.5'