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fix: missing comma in options list
Documentation #56: Commit 27fc575 pushed by minyez
December 24, 2024 15:09 39s master
December 24, 2024 15:09 39s
add MX2 factory method
Documentation #55: Commit e7ed5d2 pushed by minyez
December 15, 2024 10:29 39s master
December 15, 2024 10:29 39s
update aims, librpa, and kpath linearizer
Documentation #54: Commit d2ba983 pushed by minyez
December 6, 2024 11:58 40s master
December 6, 2024 11:58 40s
fix(hpc): a more complete sbatch option list
Documentation #53: Commit 416d13e pushed by minyez
October 7, 2024 22:24 42s master
October 7, 2024 22:24 42s
fix: error with default pat and pwd has files
Documentation #52: Commit c78fcd4 pushed by minyez
October 2, 2024 16:56 35s master
October 2, 2024 16:56 35s
feat: force occupation by number of states
Documentation #51: Commit b6f0e5f pushed by minyez
October 2, 2024 16:48 41s master
October 2, 2024 16:48 41s
feat: script to submit jobs, currently only slurm
Documentation #50: Commit 0499c97 pushed by minyez
September 20, 2024 19:03 43s master
September 20, 2024 19:03 43s
feat: read aims self energy restart file
Documentation #49: Commit 1df275f pushed by minyez
September 11, 2024 14:57 36s master
September 11, 2024 14:57 36s
test: minimal python version raised to 3.9
Documentation #48: Commit 21770e0 pushed by minyez
September 10, 2024 20:09 43s master
September 10, 2024 20:09 43s
build: increase spglib minimal version
Documentation #47: Commit cfea1c5 pushed by minyez
September 10, 2024 19:55 47s master
September 10, 2024 19:55 47s
build: increase spglib minimal version
Documentation #46: Commit d3cec51 pushed by minyez
September 10, 2024 19:51 37s master
September 10, 2024 19:51 37s
fix(core): use attribute interface for spglib
Documentation #45: Commit bece4fd pushed by minyez
September 10, 2024 19:44 36s master
September 10, 2024 19:44 36s
feat: read librpa stdout qpe
Documentation #44: Commit 69e9f34 pushed by minyez
September 10, 2024 13:07 42s master
September 10, 2024 13:07 42s
test(kpoints): one more test case for k segments
Documentation #43: Commit 2df1e0d pushed by minyez
September 4, 2024 09:23 37s master
September 4, 2024 09:23 37s
export super cell mapping
Documentation #42: Commit 40b2c56 pushed by minyez
August 13, 2024 14:22 38s master
August 13, 2024 14:22 38s
replace np.infty by np.inf
Documentation #41: Commit 152026a pushed by minyez
July 9, 2024 10:16 42s master
July 9, 2024 10:16 42s
add a new librpa module
Documentation #40: Commit 13c844a pushed by minyez
July 2, 2024 16:44 42s master
July 2, 2024 16:44 42s
fix bs test
Documentation #39: Commit ded9dc7 pushed by minyez
June 7, 2024 08:55 33s master
June 7, 2024 08:55 33s
skip tag session when empty
Documentation #38: Commit 8f07831 pushed by minyez
June 7, 2024 08:50 40s master
June 7, 2024 08:50 40s
elsi csc mat reader
Documentation #37: Commit 410507b pushed by minyez
June 6, 2024 12:24 48s master
June 6, 2024 12:24 48s
improve region division in aims control
Documentation #36: Commit ff0c508 pushed by minyez
May 17, 2024 09:48 43s master
May 17, 2024 09:48 43s
update aims
Documentation #35: Commit 49380de pushed by minyez
March 20, 2024 22:29 39s master
March 20, 2024 22:29 39s
update
Documentation #34: Commit 07403ad pushed by minyez
March 7, 2024 11:28 43s master
March 7, 2024 11:28 43s
resolve wrong band edges in perturbation theory
Documentation #33: Commit c5b8641 pushed by minyez
February 22, 2024 11:45 34s master
February 22, 2024 11:45 34s
update scripts for changes in aims module
Documentation #32: Commit 74cbf37 pushed by minyez
February 14, 2024 20:19 48s master
February 14, 2024 20:19 48s