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Starting versions for time-dependent HF/KS, tests passing, usual caveats CMake #50: Commit 33fc444 pushed by dylan-jayatilaka
November 26, 2024 14:47 22m 12s release
release
November 26, 2024 14:47 22m 12s
Tidied TEXTFILE, slurp stdin? Removed intertial ADPn's ... some error CMake #49: Commit f2c4797 pushed by dylan-jayatilaka
November 25, 2024 19:10 22m 17s release
release
November 25, 2024 19:10 22m 17s
Fixed blasted VDW bonding test; added TD_SCF stubs CMake #48: Commit 0d738af pushed by dylan-jayatilaka
November 24, 2024 16:56 21m 13s release
release
November 24, 2024 16:56 21m 13s
Added TD_SCF type CMake #47: Commit 88c89e5 pushed by dylan-jayatilaka
November 24, 2024 16:55 22m 23s release
release
November 24, 2024 16:55 22m 23s
Added back whole folder of instructions CMake #46: Commit 1114c31 pushed by dylan-jayatilaka
November 16, 2024 05:37 37s master
master
November 16, 2024 05:37 37s
Update sagamore lab link CMake #45: Commit d1a93e4 pushed by dylan-jayatilaka
November 16, 2024 04:07 30s master
master
November 16, 2024 04:07 30s
Added link to latest lab instructions, Sagamore XX @ SNU CMake #44: Commit 68dabb9 pushed by dylan-jayatilaka
November 16, 2024 04:05 37s master
master
November 16, 2024 04:05 37s
Fixed group-group min bond distance in RGBI CMake #43: Commit 33d2731 pushed by dylan-jayatilaka
November 5, 2024 19:40 22m 34s release
release
November 5, 2024 19:40 22m 34s
Tidied RGBI for homoleptic & group bond indices (recommended for indi… CMake #42: Commit a9fc7cd pushed by dylan-jayatilaka
November 5, 2024 18:54 22m 5s release
release
November 5, 2024 18:54 22m 5s
Minor changes CMake #41: Commit 6c577ac pushed by dylan-jayatilaka
October 25, 2024 17:15 24m 0s release
release
October 25, 2024 17:15 24m 0s
Added doco for REFLECTION. Tidied unit conveersion in STR. CMake #40: Commit 86e4fe7 pushed by dylan-jayatilaka
October 25, 2024 08:50 22m 7s release
release
October 25, 2024 08:50 22m 7s
Added doc routines to atom_group CMake #39: Commit 147aebd pushed by dylan-jayatilaka
October 24, 2024 16:22 21m 31s release
release
October 24, 2024 16:22 21m 31s
Added libcint & libxc again ... CMake #38: Commit 138294d pushed by dylan-jayatilaka
May 30, 2024 14:31 23m 15s release
release
May 30, 2024 14:31 23m 15s
Stuffed last module add, try again CMake #37: Commit 7310904 pushed by dylan-jayatilaka
May 30, 2024 14:22 22m 28s release
release
May 30, 2024 14:22 22m 28s
Added libxc & libcint as submodules CMake #36: Commit 7463cd7 pushed by dylan-jayatilaka
May 30, 2024 14:11 21m 12s release
release
May 30, 2024 14:11 21m 12s
Added C23 W matrices to transform to X primitive cells CMake #35: Commit f8c6002 pushed by dylan-jayatilaka
May 28, 2024 13:17 23m 8s release
release
May 28, 2024 13:17 23m 8s
Removed annoying cmake version warnings; all compiling on gfortran-13… CMake #34: Commit d94d86b pushed by dylan-jayatilaka
May 8, 2024 16:35 21m 51s release
release
May 8, 2024 16:35 21m 51s
Corrected last-cycle SCF output CMake #33: Commit 1070fff pushed by dylan-jayatilaka
April 30, 2024 10:47 21m 7s release
release
April 30, 2024 10:47 21m 7s
Checking/tidying BECK_GRID CMake #32: Commit b4ca52d pushed by dylan-jayatilaka
April 24, 2024 13:10 22m 47s release
release
April 24, 2024 13:10 22m 47s
Added defaults values into BECKE_GRID type CMake #31: Commit 5d5ceca pushed by dylan-jayatilaka
April 24, 2024 12:58 21m 20s release
release
April 24, 2024 12:58 21m 20s
Corrected numerical im[recision error in arcsin for theta calculation… CMake #30: Commit 0c41d1f pushed by dylan-jayatilaka
April 24, 2024 11:02 22m 24s release
release
April 24, 2024 11:02 22m 24s
Added back ZORA relativity; untested; removed adp_vector & ADP_tensor… CMake #29: Commit fa66718 pushed by dylan-jayatilaka
April 23, 2024 11:22 24m 22s release
release
April 23, 2024 11:22 24m 22s
Merge branch 'release' of https://github.com/dylan-jayatilaka/tonto i… CMake #28: Commit 931739f pushed by dylan-jayatilaka
April 22, 2024 09:54 21m 43s release
release
April 22, 2024 09:54 21m 43s
Removed all PTRs from TEXTFILE; compiler bug (?) for embedded keyword… CMake #27: Commit b089208 pushed by dylan-jayatilaka
March 21, 2024 09:27 21m 5s release
release
March 21, 2024 09:27 21m 5s