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add checkcutoff in dataset builder. Mirror to Gitee Repository #183: Commit 2470c9f pushed by QG-phy
August 5, 2024 10:02 3s atomicoption
atomicoption
August 5, 2024 10:02 3s
update build and get_cutoffs_from_model_options to support the rmax t… Mirror to Gitee Repository #182: Commit 264c0a9 pushed by QG-phy
August 5, 2024 08:02 2s atomicoption
atomicoption
August 5, 2024 08:02 2s
update test Mirror to Gitee Repository #181: Commit 1b66822 pushed by QG-phy
August 5, 2024 07:18 2s atomicoption
atomicoption
August 5, 2024 07:18 2s
update test Mirror to Gitee Repository #180: Commit 2171b3f pushed by QG-phy
August 5, 2024 07:03 3s atomicoption
atomicoption
August 5, 2024 07:03 3s
update band post process. Mirror to Gitee Repository #179: Commit 9b12282 pushed by QG-phy
August 1, 2024 16:03 3s atomicoption
atomicoption
August 1, 2024 16:03 3s
update argcheck collect_cutoffs. add new function with get_cutoffs… Mirror to Gitee Repository #178: Commit 6563dda pushed by QG-phy
August 1, 2024 13:42 3s atomicoption
atomicoption
August 1, 2024 13:42 3s
add print logo in main and format some of the logger.info Mirror to Gitee Repository #177: Commit 3305d33 pushed by QG-phy
August 1, 2024 11:30 4s atomicoption
atomicoption
August 1, 2024 11:30 4s
refactor(default_dataset): refactor the _TrajData for ase data. Mirror to Gitee Repository #176: Commit 7eb57e4 pushed by QG-phy
August 1, 2024 08:48 3s atomicoption
atomicoption
August 1, 2024 08:48 3s
update LMDB info.json. not need anymore. Mirror to Gitee Repository #175: Commit 3a1e1ef pushed by QG-phy
August 1, 2024 06:09 4s atomicoption
atomicoption
August 1, 2024 06:09 4s
Mirror to Gitee Repository Mirror to Gitee Repository #174: by QG-phy
August 1, 2024 03:25 3s
August 1, 2024 03:25 3s
refactor(data preprocess): remove the cut off options from info.json … Mirror to Gitee Repository #173: Commit 1861c4e pushed by QG-phy
August 1, 2024 03:25 5s atomicoption
atomicoption
August 1, 2024 03:25 5s
update diag Mirror to Gitee Repository #172: Commit 511e180 pushed by QG-phy
July 26, 2024 15:54 4s accond
accond
July 26, 2024 15:54 4s
add scipy to diag. for the internal error of Intel MKL ERROR: Paramet… Mirror to Gitee Repository #171: Commit dc1cb1f pushed by QG-phy
July 26, 2024 15:50 3s accond
accond
July 26, 2024 15:50 3s
fix bugs in argcheck of valence_e and the bug for add scissor correct… Mirror to Gitee Repository #170: Commit d576975 pushed by QG-phy
July 26, 2024 09:22 4s accond
accond
July 26, 2024 09:22 4s
update the compile Flags in Cmakelist. Mirror to Gitee Repository #169: Commit 74e7672 pushed by QG-phy
July 26, 2024 08:16 3s accond
accond
July 26, 2024 08:16 3s
update readme Mirror to Gitee Repository #168: Commit 4071bce pushed by QG-phy
July 25, 2024 09:06 4s accond
accond
July 25, 2024 09:06 4s
chore: Update CMakeLists.txt to support Intel compilers and OpenMP Mirror to Gitee Repository #167: Commit eb079ed pushed by QG-phy
July 25, 2024 06:26 3s accond
accond
July 25, 2024 06:26 3s
ad argcheck for accond, fix bug in run.py and refactor in optical_con… Mirror to Gitee Repository #166: Commit 7d9ea9b pushed by QG-phy
July 24, 2024 16:29 3s accond
accond
July 24, 2024 16:29 3s
update Mirror to Gitee Repository #165: Commit 1b717dc pushed by QG-phy
July 24, 2024 15:16 3s accond
accond
July 24, 2024 15:16 3s
update optical cond Mirror to Gitee Repository #164: Commit 6cec494 pushed by QG-phy
July 24, 2024 08:59 3s accond
accond
July 24, 2024 08:59 3s
update compile options for fortran Mirror to Gitee Repository #163: Commit 935ec75 pushed by QG-phy
July 24, 2024 08:01 3s accond
accond
July 24, 2024 08:01 3s
add optical module Mirror to Gitee Repository #162: Commit 1eda0f2 pushed by QG-phy
July 24, 2024 07:32 4s accond
accond
July 24, 2024 07:32 4s
update readme for new installation options. Mirror to Gitee Repository #161: Commit dc9b344 pushed by QG-phy
July 23, 2024 16:18 4s accond
accond
July 23, 2024 16:18 4s
add install cmake in dockerfile Mirror to Gitee Repository #160: Commit 6fe8261 pushed by QG-phy
July 23, 2024 16:12 4s accond
accond
July 23, 2024 16:12 4s
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