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ccp5
dl-poly
Merge requests
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9
Merged
125
Closed
9
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143
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Created date
Add io_file_heatflux option, move pp setup/result in stats
!143
· created
Apr 25, 2024
by
Harvey Devereux
updated
Apr 25, 2024
Fix deadlinks in the README
!142
· created
Apr 25, 2024
by
Harvey Devereux
updated
Apr 25, 2024
adds high frequency shear and bulk moduli
!134
· created
Feb 13, 2024
by
Harvey Devereux
4
updated
Mar 19, 2024
adds fftw as either local install (PkgConfig) or pulled
!125
· created
Jan 08, 2024
by
Harvey Devereux
updated
Feb 02, 2024
Draft: statistic_accumulator Type to operate as a stack as sumval etc do
!124
· created
Dec 20, 2023
by
Harvey Devereux
3
updated
Feb 01, 2024
Draft: issue2041: cutoff distance check for shifted n-m potential
!115
· created
Nov 18, 2023
by
Michael Seaton
updated
Nov 21, 2023
Fix currents, separate by species, add yaml output option
!104
· created
Oct 10, 2023
by
Harvey Devereux
2
updated
Feb 02, 2024
Draft: 03 md driver chemsh
!62
· created
Sep 14, 2022
by
You Lü
updated
Apr 14, 2024
create python_options to generalise chemshell support
!55
· created
May 06, 2022
by
Alin Marin Elena
Approved
updated
May 06, 2022