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fully debug mace
tests #934: Commit ac664cc pushed by qzhu2017
September 28, 2024 01:25 5m 2s master
September 28, 2024 01:25 5m 2s
fix the update of mace_energy
tests #933: Commit 8fa49ac pushed by qzhu2017
September 26, 2024 02:18 4m 43s master
September 26, 2024 02:18 4m 43s
fix the issue
tests #932: Commit a8d4aad pushed by qzhu2017
September 25, 2024 12:27 5m 27s master
September 25, 2024 12:27 5m 27s
update db with more output and mpisupport
tests #931: Commit 693dfb6 pushed by qzhu2017
September 25, 2024 12:22 5m 3s master
September 25, 2024 12:22 5m 3s
modify opt_reps/xtals and move to v1.0.4
tests #930: Commit 1d0b3b1 pushed by qzhu2017
September 22, 2024 13:53 5m 2s master
September 22, 2024 13:53 5m 2s
speed up parallel
tests #929: Commit 99f03e2 pushed by qzhu2017
September 22, 2024 03:26 4m 48s master
September 22, 2024 03:26 4m 48s
enable dynamical assignment in vasp calculation, need to check other …
tests #928: Commit f131341 pushed by qzhu2017
September 21, 2024 23:04 4m 27s master
September 21, 2024 23:04 4m 27s
finalize the debug of vasp calculation
tests #927: Commit 82d465c pushed by qzhu2017
September 21, 2024 01:52 4m 43s master
September 21, 2024 01:52 4m 43s
enable the update of vasp energy
tests #926: Commit 7e7912a pushed by qzhu2017
September 20, 2024 15:36 4m 47s master
September 20, 2024 15:36 4m 47s
update db with debugged mace calculator
tests #925: Commit da1bdeb pushed by qzhu2017
September 20, 2024 02:35 4m 41s master
September 20, 2024 02:35 4m 41s
enable mace calculator
tests #924: Commit 1dd15c7 pushed by qzhu2017
September 19, 2024 22:41 4m 38s master
September 19, 2024 22:41 4m 38s
update db optimize and ase optimizer
tests #923: Commit a07d7c4 pushed by qzhu2017
September 19, 2024 13:09 4m 55s master
September 19, 2024 13:09 4m 55s
Merge branch 'master' of https://github.com/qzhu2017/PyXtal
tests #922: Commit b4c33fd pushed by qzhu2017
September 17, 2024 01:14 2m 14s master
September 17, 2024 01:14 2m 14s
prep for v1.0.3
tests #921: Commit 5ffc6bf pushed by qzhu2017
September 9, 2024 17:05 4m 24s v1.0.3
September 9, 2024 17:05 4m 24s
prep for v1.0.3
tests #920: Commit 5ffc6bf pushed by qzhu2017
September 9, 2024 16:57 4m 32s master
September 9, 2024 16:57 4m 32s
add optimize_reps to reduce the memory storage
tests #919: Commit 7ca5fec pushed by qzhu2017
September 8, 2024 21:05 4m 33s master
September 8, 2024 21:05 4m 33s
add the print out of memory
tests #918: Commit ab69c53 pushed by qzhu2017
September 8, 2024 20:18 4m 25s master
September 8, 2024 20:18 4m 25s
optimize the memory in builder/optimize/symmetry
tests #917: Commit b2acbc6 pushed by qzhu2017
September 8, 2024 01:05 4m 51s master
September 8, 2024 01:05 4m 51s
unify optimize module
tests #916: Commit dec54c7 pushed by qzhu2017
September 7, 2024 14:52 4m 40s master
September 7, 2024 14:52 4m 40s
MPI should be ready
tests #915: Commit d6ea184 pushed by qzhu2017
September 7, 2024 01:46 5m 52s master
September 7, 2024 01:46 5m 52s
fix #271 by adding subprocess control and output logger for mpi debug
tests #914: Commit 2167d89 pushed by qzhu2017
September 6, 2024 18:47 4m 42s master
September 6, 2024 18:47 4m 42s
fix a tiny bug
tests #913: Commit d83e770 pushed by qzhu2017
September 6, 2024 12:59 4m 52s master
September 6, 2024 12:59 4m 52s
fix the bug in generating tabular reps
tests #912: Commit 997341b pushed by qzhu2017
September 6, 2024 12:46 3m 42s master
September 6, 2024 12:46 3m 42s
enable mpi in lego.builder
tests #911: Commit e8f7a8d pushed by qzhu2017
September 6, 2024 01:45 3m 34s master
September 6, 2024 01:45 3m 34s
add from_prototype function #221
tests #910: Commit 13e7336 pushed by qzhu2017
September 5, 2024 00:35 4m 34s master
September 5, 2024 00:35 4m 34s