分支 · HPCSource / octopus

该项目从 https://gitlab.com/octopus-code/octopus.git 镜像。 Pull mirroring failed 6月 08, 2024.
由于尝试失败次数过多，仓库镜像已暂停，可以由项目维护者或所有者恢复。
上次成功更新 5月 28, 2024。

floquet

cf9a7106 · fix spinors · 9月 22, 2020
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multisystem_replicas

b4b78bbd · Add classes for multisystem replicas and classical particle replicas. · 9月 16, 2020
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370-Implement-SCF-multisystem-propagators

517be65d · Add very first and still incomplete version of a multisystem scf · 8月 14, 2020
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373-Implement-ETRS-and-AETRS-propagators-for-multi-system-framework

0a25b2d2 · Add missing use statements. · 8月 13, 2020
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fix_multipoles_functions_in_lower_dimensions

5be71eb6 · Loop has to end at max dimension, otherwise segfault if dim<3. Also see line... · 8月 12, 2020
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386-Add-system-type-to-system-class

ecfd8fb7 · Store system type in the system class. · 8月 12, 2020
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thermal_grad

765156db · made some small, unimportant changes, but keeping em anyway · 8月 03, 2020
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merge-test-ppc

77275c77 · removed debug · 7月 23, 2020
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343-Add-sampling-and-averaging-for-multi-systems

7c91be5a · Add abstract multisystem container · 7月 22, 2020
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fix_zeeman

3d6eec89 · Adding tests for the Zeeman term. · 7月 21, 2020
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test_forces

c12ad0d2 · added printout · 7月 16, 2020
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364-Enable-current-interaction-between-charges-particles-and-Maxwell

0e974ad3 · Add new interaction which couples the charge current of classical · 7月 09, 2020
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abstract_species

a5e3f68f · Starting to implement abstract species and derived species. · 6月 18, 2020
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fixbug-partial-charge

0b245638 · avoid negative partial charge · 6月 18, 2020
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batchify_states_calc_quantities

5ceba574 · Merge with develop and change the name of the batch to grad_psib. · 6月 16, 2020
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fix_evolution_eigen

34070730 · Fix the routine state_elec_calc_overlap. The symmetrization was simply wrong. · 5月 19, 2020
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improve_openmp

6cd2787d · Adding OpenMP parallelization in various loops. · 5月 12, 2020
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310-add-more-unit-tests-for-batch-operations

1317c6b9 · last changes · 4月 29, 2020
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forbid_wrong_test_combinations

30bf289e · Forbid running some combination of variable which do not make sense. · 4月 21, 2020
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parallel_restart

8ec1d026 · Fix unpacking logic in batch_end · 4月 06, 2020
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