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Dalton
Dalton
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Merged
357
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Created date
Using IEEE standard to check if elements are finite
!400
· created
Apr 22, 2024
by
Erik Kjellgren
0 of 1 Approvals
updated
Apr 23, 2024
Fixed error in MP3 calculations and removed -ip option for intel compilers
!399
· created
Apr 21, 2024
by
Hans Jørgen Aagaard Jensen
Merged
2
Approved
updated
Apr 21, 2024
replace GNU extension GETENV with the Fortran 90 standard equivalent, GET_ENVIRONMENT_VARIABLE
!398
· created
Apr 20, 2024
by
Jeff Hammond
Merged
1
Approved
updated
Apr 21, 2024
replace GNU extension LNBLNK with the Fortran 90 standard equivalent, LEN_TRIM
!397
· created
Apr 20, 2024
by
Jeff Hammond
Merged
1
Approved
updated
Apr 21, 2024
try new gitlab ci for intel; quit if NaN in srDFT
!396
· created
Apr 19, 2024
by
Hans Jørgen Aagaard Jensen
Merged
3
Approved
updated
Apr 21, 2024
Various maintenance updates to program
!395
· created
Apr 14, 2024
by
Hans Jørgen Aagaard Jensen
Merged
Approved
updated
Apr 15, 2024
Minor fixes and updates; added more basis sets
!394
· created
Jan 31, 2024
by
Hans Jørgen Aagaard Jensen
Merged
4
Approved
updated
Feb 01, 2024
Changed version to 2024.0-dev plus some minor changes and improvements
!393
· created
Jan 03, 2024
by
Hans Jørgen Aagaard Jensen
Merged
Approved
updated
Jan 03, 2024
New terms from TOPPA added to the implementation of SOPPA
!392
· created
Nov 17, 2023
by
Kasper F. Schaltz
Merged
4
Approved
updated
Mar 09, 2024
Various minor improvements
!391
· created
Nov 09, 2023
by
Hans Jørgen Aagaard Jensen
Merged
Approved
updated
Nov 09, 2023
work around non-standard nature of GETARG()
!390
· created
Oct 18, 2023
by
Jeff Hammond
Merged
Approved
updated
Oct 18, 2023
work around non-standard nature of SYSTEM()
!389
· created
Oct 18, 2023
by
Jeff Hammond
Merged
Approved
updated
Oct 18, 2023
Update CI to use runners with more CPUs
!388
· created
Oct 17, 2023
by
Jógvan Magnus Haugaard Olsen
Merged
4
Approved
updated
Oct 19, 2023
Update PElib (fixes real precision issues)
!387
· created
Oct 17, 2023
by
Jógvan Magnus Haugaard Olsen
Merged
Approved
updated
Oct 18, 2023
Resolve "DALTON/cc/rpa_grad.F initializes DATA statement twice (first done in chrnos.h)"
!386
· created
Oct 17, 2023
by
Jógvan Magnus Haugaard Olsen
Merged
Approved
updated
Oct 17, 2023
Various smaller updates
!385
· created
Oct 03, 2023
by
Hans Jørgen Aagaard Jensen
Merged
Approved
updated
Oct 03, 2023
Two bugfixes and removed unused file.
!384
· created
Aug 30, 2023
by
Hans Jørgen Aagaard Jensen
Merged
Approved
updated
Aug 30, 2023
Bugfix and two more
!383
· created
Aug 28, 2023
by
Hans Jørgen Aagaard Jensen
Closed
1
0 of 1 Approvals
updated
Aug 30, 2023
Update Master.tex
!382
· created
Jul 21, 2023
by
James Babb
Merged
Approved
updated
Jul 22, 2023
Draft: Update Master.tex
!381
· created
Jul 21, 2023
by
James Babb
Closed
0 of 1 Approvals
updated
Jul 21, 2023
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