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Add quantumespresso interface based on pwtools
Unittest Lower Bound #79: Pull request #97 opened by jan-janssen
November 30, 2023 06:45 2m 27s qe
qe
November 30, 2023 06:45 2m 27s
Merge pull request #96 from pyiron/ase_volume
Unittest Lower Bound #78: Commit 9e4dab1 pushed by jan-janssen
November 29, 2023 22:07 14m 32s main
November 29, 2023 22:07 14m 32s
Ase volume optimisation
Unittest Lower Bound #77: Pull request #96 synchronize by jan-janssen
November 29, 2023 21:51 14m 31s ase_volume
November 29, 2023 21:51 14m 31s
Ase volume optimisation
Unittest Lower Bound #76: Pull request #96 opened by jan-janssen
November 29, 2023 21:32 15m 43s ase_volume
November 29, 2023 21:32 15m 43s
Merge pull request #95 from pyiron/abstract_test
Unittest Lower Bound #75: Commit b6bdb2f pushed by jan-janssen
November 29, 2023 14:14 14m 31s main
November 29, 2023 14:14 14m 31s
Add test for abstract workflow class
Unittest Lower Bound #74: Pull request #95 synchronize by jan-janssen
November 29, 2023 14:00 14m 37s abstract_test
November 29, 2023 14:00 14m 37s
Add test for abstract workflow class
Unittest Lower Bound #73: Pull request #95 opened by jan-janssen
November 29, 2023 13:43 14m 51s abstract_test
November 29, 2023 13:43 14m 51s
Merge pull request #94 from pyiron/thermal_expansion_test
Unittest Lower Bound #72: Commit 70aebfb pushed by jan-janssen
November 29, 2023 13:06 14m 31s main
November 29, 2023 13:06 14m 31s
Test thermal expansion
Unittest Lower Bound #71: Pull request #94 synchronize by jan-janssen
November 29, 2023 10:28 14m 34s thermal_expansion_test
November 29, 2023 10:28 14m 34s
Test thermal expansion
Unittest Lower Bound #70: Pull request #94 synchronize by jan-janssen
November 29, 2023 10:26 14m 35s thermal_expansion_test
November 29, 2023 10:26 14m 35s
Test thermal expansion
Unittest Lower Bound #69: Pull request #94 synchronize by jan-janssen
November 29, 2023 10:17 14m 28s thermal_expansion_test
November 29, 2023 10:17 14m 28s
Test thermal expansion
Unittest Lower Bound #68: Pull request #94 synchronize by jan-janssen
November 29, 2023 10:12 14m 32s thermal_expansion_test
November 29, 2023 10:12 14m 32s
Test thermal expansion
Unittest Lower Bound #67: Pull request #94 synchronize by jan-janssen
November 29, 2023 10:08 14m 28s thermal_expansion_test
November 29, 2023 10:08 14m 28s
Test thermal expansion
Unittest Lower Bound #66: Pull request #94 opened by jan-janssen
November 29, 2023 09:54 14m 32s thermal_expansion_test
November 29, 2023 09:54 14m 32s
Merge pull request #93 from pyiron/thermalexpansion
Unittest Lower Bound #65: Commit ef8c516 pushed by jan-janssen
November 29, 2023 08:42 14m 33s main
November 29, 2023 08:42 14m 33s
Implement thermal expansion for quasi-harmonic and energy-volume curve
Unittest Lower Bound #64: Pull request #93 synchronize by jan-janssen
November 29, 2023 08:25 16m 25s thermalexpansion
November 29, 2023 08:25 16m 25s
Implement thermal expansion for quasi-harmonic and energy-volume curve
Unittest Lower Bound #63: Pull request #93 synchronize by jan-janssen
November 29, 2023 08:22 14m 25s thermalexpansion
November 29, 2023 08:22 14m 25s
Implement thermal expansion for quasi-harmonic and energy-volume curve
Unittest Lower Bound #62: Pull request #93 opened by jan-janssen
November 29, 2023 08:01 14m 37s thermalexpansion
November 29, 2023 08:01 14m 37s
Merge pull request #89 from pyiron/thermal_expansion
Unittest Lower Bound #61: Commit 8493d47 pushed by jan-janssen
November 28, 2023 17:56 14m 29s main
November 28, 2023 17:56 14m 29s
Add thermal expansion example for LAMMPS
Unittest Lower Bound #60: Pull request #89 synchronize by jan-janssen
November 28, 2023 17:41 15m 9s thermal_expansion
November 28, 2023 17:41 15m 9s
Add thermal expansion example for LAMMPS
Unittest Lower Bound #59: Pull request #89 synchronize by jan-janssen
November 28, 2023 17:40 14m 25s thermal_expansion
November 28, 2023 17:40 14m 25s
Add thermal expansion example for LAMMPS
Unittest Lower Bound #58: Pull request #89 synchronize by jan-janssen
November 28, 2023 16:51 14m 47s thermal_expansion
November 28, 2023 16:51 14m 47s
Refactor the calculators to be more functional
Unittest Lower Bound #57: Pull request #91 opened by jan-janssen
November 28, 2023 16:15 14m 29s functional_calculator_interface
November 28, 2023 16:15 14m 29s
Add thermal expansion example for LAMMPS
Unittest Lower Bound #56: Pull request #89 synchronize by jan-janssen
November 28, 2023 12:57 14m 35s thermal_expansion
November 28, 2023 12:57 14m 35s
Merge pull request #90 from pyiron/lammps_refactor_2
Unittest Lower Bound #55: Commit d1a7a19 pushed by jan-janssen
November 28, 2023 12:56 14m 31s main
November 28, 2023 12:56 14m 31s
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