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initstate
429c044c
·
fix rhodyn reads DM from file
·
Nov 10, 2024
gradient-hdf5
b0f28124
·
Add IRLXROOT variable to raswfn.F90
·
Nov 10, 2024
466-mcpdft-numerical-gradient
f74be507
·
maybe fix intel and nag
·
Nov 11, 2024
hennefarth/pdft-msctl-upgrade
62cbb225
·
move tau and lapl reset to correct place
·
Nov 12, 2024
remove_trash
bd815490
·
Merge branch 'master' into remove_trash
·
Nov 25, 2024
refactor-qcmaquis
b0752881
·
refactor: compressMPS
·
Nov 29, 2024
470-mc-pdft-with-solvent
daa17386
·
abort if reaction field used
·
Dec 06, 2024
mclr_cleanup
8c574a7a
·
Merge branch 'master' into mclr_cleanup
·
Dec 09, 2024
alaska
6fc9ba32
·
Fix some compiler warnings.
·
Dec 10, 2024
rm_fh
49b5130a
·
Remove output_ras.fh.
·
Dec 11, 2024
fix_qmmm
234347f4
·
fix
·
Dec 13, 2024
hennefarth/pdft-func-rename
deb64eb0
·
Merge remote-tracking branch 'origin/master' into hennefarth/pdft-func-rename
·
Dec 13, 2024
lucia_fh
0c0365a4
·
Fix.
·
Dec 16, 2024
general_data
515fe676
·
Fix.
·
Dec 17, 2024
rassi_data
89118575
·
Fix.
·
Dec 18, 2024
Various_fh
ee5602d6
·
Remove temptime\.fh.
·
Dec 19, 2024
polish
cb633c63
·
Cleanup.
·
Dec 29, 2024
qmstate_fix
8e9255a5
·
Fix a nvfortran compiler error.
·
Dec 30, 2024
polish_II
6fa46c2b
·
Fix better size accessement of temp6.
·
Jan 07, 2025
polish_III
47c79a0f
·
Fix unconditional deallocation of Sew_Scr.
·
Jan 12, 2025
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