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2dd14bf
[wien2k] pure-Python case.oubwin band-window generator
krystophny Jun 16, 2026
20ae97b
Read each correlated-shell irep record before the SO flag
krystophny Oct 12, 2026
87be8ca
Accept inline comments after the projection window
krystophny Oct 12, 2026
4037eaa
[wien2k] pure-Python case.ctqmcout correlated-shell projectors
krystophny Jun 16, 2026
9bc18c3
Validate correlated-shell records and projector overlap rank
krystophny Oct 12, 2026
26570df
[wien2k] pure-Python case.sympar partial-shell symmetry matrices
krystophny Jun 16, 2026
6beffcc
Read per-shell correlated representations in sympar
krystophny Oct 12, 2026
dfede93
Port partial projectors with per-shell density matrices and validated…
krystophny Jun 16, 2026
0037b6d
Handle independent sort and symmetry counts in partial projectors
krystophny Oct 12, 2026
b7eed2e
Preserve double precision in native dmftproj and test symmetry unitarity
krystophny Jun 16, 2026
29e9961
Share dmftproj machinery and port double precision, custom bases and …
krystophny Oct 12, 2026
d52a695
Fix shared parser, spinor and projection-window edge cases
krystophny Oct 12, 2026
6429f83
Port and verify non-spin-orbit dmftproj paths
krystophny Jun 16, 2026
8675e92
Reject inconsistent spinor inputs on non-SO paths
krystophny Oct 12, 2026
3922de4
Verify improper-rotation parity on odd-l shells
krystophny Jun 16, 2026
132dd4e
[wien2k] fix dmftproj port for non-centrosymmetric cells
krystophny Jun 24, 2026
f594e83
[wien2k] pure-Python dmftproj driver; remove the Fortran executable
krystophny Jun 16, 2026
c4df36c
Rotate Wien2k symmetry matrices into local solver frames
krystophny Jun 24, 2026
cb0787e
Complete Python dmftproj integration
krystophny Oct 12, 2026
9b03064
Update Wien2k symmetry reference archives
krystophny Oct 12, 2026
777cc46
Exercise in-process dmftproj workflow
krystophny Oct 12, 2026
3143800
Update generated converter symmetry references
krystophny Oct 12, 2026
955add6
Verify local symmetry frames by density-matrix covariance
krystophny Oct 12, 2026
22ba9ca
Document projector limits and reject nonfinite archive references
krystophny Oct 12, 2026
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4 changes: 1 addition & 3 deletions CMakeLists.txt
Original file line number Diff line number Diff line change
Expand Up @@ -24,7 +24,7 @@ cmake_policy(VERSION ${CMAKE_VERSION})

# ############
# Define Project
project(triqs_dftkit VERSION 4.0.0 LANGUAGES CXX Fortran)
project(triqs_dftkit VERSION 4.0.0 LANGUAGES CXX)
get_directory_property(IS_SUBPROJECT PARENT_DIRECTORY)

# version displayed in the documentation
Expand Down Expand Up @@ -106,8 +106,6 @@ include(GNUInstallDirs)
# Find / Build dependencies
add_subdirectory(deps)

# Build and install the dmftproj executable
add_subdirectory(fortran/dmftproj)

# Command line scripts (init_dmftpr generates dmftproj's input file)
add_subdirectory(bin)
Expand Down
2 changes: 1 addition & 1 deletion bin/CMakeLists.txt
Original file line number Diff line number Diff line change
@@ -1,3 +1,3 @@
# Command line scripts. install(PROGRAMS) sets the execute bit, unlike the
# install(FILES) that dft_tools used for init_dmftpr.
install(PROGRAMS init_dmftpr DESTINATION bin)
install(PROGRAMS init_dmftpr dmftproj DESTINATION bin)
9 changes: 9 additions & 0 deletions bin/dmftproj
Original file line number Diff line number Diff line change
@@ -0,0 +1,9 @@
#!/usr/bin/env python3

"""Compatibility command for the pure-Python Wien2k projector driver."""

from triqs_dftkit.wien2k.dmftproj import main


if __name__ == '__main__':
main()
25 changes: 0 additions & 25 deletions fortran/dmftproj/CMakeLists.txt

This file was deleted.

14 changes: 0 additions & 14 deletions fortran/dmftproj/SRC_templates/case.cf_f_mm2

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7 changes: 0 additions & 7 deletions fortran/dmftproj/SRC_templates/case.cf_p_cubic

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16 changes: 0 additions & 16 deletions fortran/dmftproj/SRC_templates/case.indmftpr

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