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Added calculation of surface dipole to density_module.f90, along with call from get_H_on_atomfns and small change to grid_index to allow grid point positions to be a target. This does not yet include energy or force/stress calculations.
Input parameters now read, and small error corrected: the formula given by Bengtsson does not include an explicit shift to place the discontinuity in the vacuum, though it is implied (and should be there!).
Release 1.4
remove a bug in writing cube files
Apply tag v1.4 to develop
Bugfix in writing cube files
added XC_LibXC_v7_module.f90 for libxc_7.0.0 system/system.example.make is also changed
…module.f90 Instead of adding XC_LibXC_v7_module.f90, using f03 interface in *v5_module.f90 I have changed XC_LibXC_v5_module.f90, system/system.example.make and tools/BasisGeneration/radial_xc_LibXC_v5_module.f90 Other system.make files should be also changed depending on platforms.
Modified system/system.gha.make for git to use f03.
F libxc7.0.0
Specifically related to constraining ratios e.g. c/a
Modify -lxcf90 by -lxcf03 to link with libXC
Updates to cell constraints and how they are applied
Introduced DiagModule.f90, ELPAModule.f90, ELPAModuleDUMMY.f90, energy.obj and initial_read_module.f90 to use ELPA. system/system.make needs to be also changed.
modified: DiagModule.f90 modified: initial_read_module.f90
Some bugs are removed as well as "system.example.make" has been changed.
Changed select to if, added ELPA dummy flag and tidied indentation
Implementing ELPA
Small tweak to the input so that we check for a specified set of bands before looking for an energy range. This allows the user to write out a set of wavefunctions from Conquest using an energy range, and then specify a set of bands in the post-processing
The PAO-SF overlap matrix is now generated from the PAO-PAO matrix
Removing debug write statements
…32 to 256 in input_module.f90.
Maximum line length read from Conquest_input was changed from 132 to 256.
Add cell volume output
Boundary in the DOS calculations has been changed (PostProcess).
At present only NVIDIA supported
The variable nreq passed to MPI_Recv was allocated as an array with the wrong size, but can be simple integer as it is passed to a blocking receive.
Fixed potential array overflow in alloc_recv_array
Citation for LibXC added to output file, and URL and citation added to manual (under Installation). Added URL for ELPA at the same time.
Add citations for LibXC
tsuyoshi38
approved these changes
Feb 13, 2026
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lionelalexandre
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lionelalexandre
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I think there is something wrong with PostProcess, see Tutorial 4 in branch tutorials and Projects but I may approve anyway.
lionelalexandre
approved these changes
Feb 23, 2026
Add ELPA GPU capability
Make it clear that the options are v4 or v5 (which covers v5, v6 and v7) and update linking lines to use xcf03 for v5, v6 and v7.
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Version 1.5 of Conquest provides various updates: