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compress the wavefunction files a little Test #39: Commit a9a93fb pushed by tjira
March 7, 2024 14:57 2h 2m 35s master
master
March 7, 2024 14:57 2h 2m 35s
change clone depth for libint library Test #38: Commit 9b80d0c pushed by tjira
March 6, 2024 20:56 2h 4m 49s master
master
March 6, 2024 20:56 2h 4m 49s
make the FFTW3 link static Test #36: Commit ccc22d2 pushed by tjira
March 4, 2024 09:46 1h 59m 41s master
master
March 4, 2024 09:46 1h 59m 41s
add complex absorbing potential Test #34: Commit f63ab07 pushed by tjira
March 2, 2024 20:15 2h 5m 41s master
master
March 2, 2024 20:15 2h 5m 41s
implement NAD using split operator method in acorn Test #33: Commit 160d4c1 pushed by tjira
March 1, 2024 23:06 2h 0m 17s master
master
March 1, 2024 23:06 2h 0m 17s
improve spectrum generation in the educational script Test #32: Commit 4cd737f pushed by tjira
February 28, 2024 21:37 2h 5m 0s master
master
February 28, 2024 21:37 2h 5m 0s
revert back previous commit Test #31: Commit 95ae990 pushed by tjira
February 28, 2024 17:37 2h 2m 46s master
master
February 28, 2024 17:37 2h 2m 46s
add model spectrum calculation to the acorn executable Test #30: Commit c3d0347 pushed by tjira
February 26, 2024 14:59 2h 4m 42s master
master
February 26, 2024 14:59 2h 4m 42s
some refactoring in the edu spectrum calculation Test #29: Commit a11a3b0 pushed by tjira
February 25, 2024 20:35 2h 3m 34s master
master
February 25, 2024 20:35 2h 3m 34s
maybe it's correct now idk Test #28: Commit 5e78c91 pushed by tjira
February 25, 2024 18:39 2h 1m 34s master
master
February 25, 2024 18:39 2h 1m 34s
update educational spectrum calculation Test #27: Commit f9757cc pushed by tjira
February 25, 2024 17:01 1h 59m 59s master
master
February 25, 2024 17:01 1h 59m 59s
add a prototype of spectrum calculation to eqadet.py Test #26: Commit 98bb2ea pushed by tjira
February 24, 2024 17:11 2h 7m 21s master
master
February 24, 2024 17:11 2h 7m 21s
Test Test #25: by tjira
February 23, 2024 20:29 2h 0m 40s master
master
February 23, 2024 20:29 2h 0m 40s
add some options to the AQD educational script Test #24: Commit 678e19d pushed by tjira
February 23, 2024 17:43 2h 0m 40s master
master
February 23, 2024 17:43 2h 0m 40s
add adiabatic BAGEL dynamics Test #23: Commit ddb17d4 pushed by tjira
February 20, 2024 12:32 2h 1m 3s master
master
February 20, 2024 12:32 2h 1m 3s
add some pages to docs Test #22: Commit c989f80 pushed by tjira
February 19, 2024 14:00 2h 0m 21s master
master
February 19, 2024 14:00 2h 0m 21s
small refactoring of educational scripts Test #21: Commit 16d2ec5 pushed by tjira
February 16, 2024 14:42 2h 5m 46s master
master
February 16, 2024 14:42 2h 5m 46s
small refactor of integral calculation in educational toolkit Test #20: Commit c10609b pushed by tjira
February 15, 2024 13:16 2h 4m 33s master
master
February 15, 2024 13:16 2h 4m 33s
finish the FCI in the education script Test #19: Commit fd2817c pushed by tjira
February 15, 2024 13:04 2h 1m 28s master
master
February 15, 2024 13:04 2h 1m 28s
FCI is now working for H2 with STO-3G basis in education script Test #18: Commit 4327c7f pushed by tjira
February 13, 2024 20:03 1h 59m 38s master
master
February 13, 2024 20:03 1h 59m 38s
begin the configuration interaction in the education script Test #17: Commit 8466427 pushed by tjira
February 13, 2024 17:42 2h 2m 26s master
master
February 13, 2024 17:42 2h 2m 26s
refactor the python SCF script Test #16: Commit 2070218 pushed by tjira
February 13, 2024 15:22 2h 2m 21s master
master
February 13, 2024 15:22 2h 2m 21s
improve MO transform and clarify CI matrix element calculation Test #15: Commit 87a7f54 pushed by tjira
February 13, 2024 14:22 2h 5m 17s master
master
February 13, 2024 14:22 2h 5m 17s
remove molecule.json file from the root directory Test #14: Commit dae71db pushed by tjira
February 12, 2024 17:42 1h 58m 25s master
master
February 12, 2024 17:42 1h 58m 25s
add Mulliken population analysis Test #13: Commit a87231a pushed by tjira
February 12, 2024 14:19 2h 2m 51s master
master
February 12, 2024 14:19 2h 2m 51s
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