Commit Graph

  • 7b986f6f77 using new table functionality Martin Diehl 2022-12-07 21:55:20 +0100
  • 06f8697bd1 manage tabulated data with linear interpolation in-between points Martin Diehl 2022-12-07 21:43:05 +0100
  • a4e2702afb Merge branch 'fortran-style-adjustments' into 'development' Martin Diehl 2022-12-07 17:29:04 +0000
  • aaae8a701b Fortran style adjustments Martin Diehl 2022-12-07 17:29:03 +0000
  • e8aeb4435d polishing Daniel Otto de Mentock 2022-12-07 14:33:33 +0100
  • b6610f4499 a few more tests Martin Diehl 2022-12-05 13:45:08 +0100
  • dc54f5935c lattice is an optional parameter; Sharan Roongta 2022-12-06 18:51:35 +0100
  • 0b24a17a4b [skip ci] updated version information after successful test of v3.0.0-alpha7-197-g418e2f022 Test User 2022-12-07 01:50:56 +0100
  • 418e2f022b Merge branch '242-optional-numba-for-yaml-emitter' into 'development' Martin Diehl 2022-12-06 20:17:24 +0000
  • ba2062e4ed CSafeDumper is significantly faster and can be subclassed for custom extensions. Daniel Otto de Mentock 2022-12-06 20:17:23 +0000
  • 9cb1d75d05 [skip ci] updated version information after successful test of v3.0.0-alpha7-194-g4717536f1 Test User 2022-12-06 18:52:28 +0100
  • 4717536f1a Merge branch '241-same-quaternion-but-different-ipfs-calculated-by-damask-and-orix-python-package' into 'development' Sharan Roongta 2022-12-06 14:15:35 +0000
  • e295ea5c75 [skip ci] updated version information after successful test of v3.0.0-alpha7-190-g65cb9d599 Test User 2022-12-06 06:48:40 +0100
  • 7b8fce8db0 help polish Philip Eisenlohr 2022-12-05 18:29:03 -0500
  • ce2e0a01f5 single elements of numpy arrays are not of native type Martin Diehl 2022-12-05 20:29:08 +0100
  • 65cb9d5997 Merge branch 'development' into 228-unit-tests-for-spectral-functionality Philip Eisenlohr 2022-12-05 11:01:48 -0500
  • 71a75f1cc2 more informative error stop messages Philip Eisenlohr 2022-12-05 11:01:06 -0500
  • f8ec873e54 == syntax consistency Philip Eisenlohr 2022-12-05 11:00:23 -0500
  • 1b4f12887f PRIVATE including merge commit for damage testing Martin Diehl 2022-12-05 14:02:05 +0100
  • bcded82787 Merge branch 'damage_restart_yi_clean' into 'development' Martin Diehl 2022-12-05 10:52:59 +0000
  • b9ee401ff5 add damage restart functionality and associated tests Yi Hu 2022-12-05 10:52:59 +0000
  • 7c6c46c2db return value of fftw function is defined as cdouble Daniel Otto de Mentock 2022-12-05 10:39:42 +0100
  • c2e78158c8 petsc macros can be omitted with use of preal Daniel Otto de Mentock 2022-12-05 10:38:36 +0100
  • f585160e12 [skip ci] updated version information after successful test of v3.0.0-alpha7-177-g30998d667 Test User 2022-12-05 07:20:16 +0100
  • 30998d6670 Merge branch 'test-rotation-multidim' into 'development' Martin Diehl 2022-12-05 02:08:31 +0000
  • 5127dfe90b from/as tests use rotation-array; separate bounds checks Philip Eisenlohr 2022-12-05 02:08:31 +0000
  • c7cb56fc18 lower exponent gives smoother gradients Martin Diehl 2022-12-02 22:55:22 +0100
  • f61273c062 standard style Martin Diehl 2022-12-02 20:41:47 +0100
  • 1f624ddbf5 [skip ci] updated version information after successful test of v3.0.0-alpha7-174-g934147d80 Test User 2022-12-02 18:58:56 +0100
  • 934147d803 Merge branch 'fortran-rename' into 'development' Daniel Otto de Mentock 2022-12-02 14:19:24 +0000
  • 411c86b5ef following style guide Martin Diehl 2022-12-01 19:44:53 +0100
  • 8493170419 testing equivalence of different code branches for imposed cubic symmetry Martin Diehl 2022-12-01 00:08:15 +0100
  • a2f898a94c correcting function return type, indentation Daniel Otto de Mentock 2022-11-25 15:12:07 +0100
  • b96576ce93 standardizing double definition across modules Daniel Otto de Mentock 2022-11-25 13:49:50 +0100
  • 8fd4a0c084 petscscalar and pReal need to be equivalent Daniel Otto de Mentock 2022-11-25 12:23:14 +0100
  • 07bbbdb380 avoid fixed length character arrays Sharan Roongta 2022-11-30 13:33:04 +0100
  • 71fe8edd4c Merge remote-tracking branch 'origin/development' into select-mu Sharan Roongta 2022-11-30 11:11:34 +0100
  • 3a3be7cdc8 have isostrain/stress replace voigt/reuss Philip Eisenlohr 2022-11-29 14:56:13 -0500
  • fd2b892f3e [skip ci] updated version information after successful test of v3.0.0-alpha7-171-g26ff1b895 Test User 2022-11-30 04:36:32 +0100
  • 26ff1b8956 Merge branch '220-array-dimensions-in-restart-file-hdf5-chunking-fails-for-large-simulations' into 'development' Sharan Roongta 2022-11-29 21:45:10 +0000
  • 18ad14708f stay consistent Martin Diehl 2022-11-29 22:01:14 +0100
  • 8ba9bb02c7 slight reduction of code doubling Philip Eisenlohr 2022-11-29 15:47:11 -0500
  • d364808c82 extending test to MPI parallel runs Martin Diehl 2022-11-29 18:12:38 +0100
  • 599e4472e8 Merge remote-tracking branch 'origin/development' into select-mu Sharan Roongta 2022-11-29 12:12:02 +0100
  • afa0a644ed [skip ci] updated version information after successful test of v3.0.0-alpha7-168-g741aeab1d Test User 2022-11-29 08:43:36 +0100
  • 741aeab1d3 Merge branch '235-docstring-of-orientation-from_axis_angle' into development Martin Diehl 2022-11-29 06:05:58 +0100
  • 88878c50c6 [skip ci] updated version information after successful test of v3.0.0-alpha7-163-g3505fdee9 Test User 2022-11-29 00:45:34 +0100
  • 8b5fa37428 calculation of shear modulus for cubic crystals can be simplifieid, tests added for different crystal symmetries Sharan Roongta 2022-11-12 00:03:30 +0100
  • 3505fdee9a Merge branch '149-python-vtk-improvements' into 'development' Philip Eisenlohr 2022-11-28 20:05:40 +0000
  • d668f8a56d don't add empty strings Martin Diehl 2022-11-28 20:05:39 +0000
  • 8112f87d39 parameter names can contain underscores Daniel Otto de Mentock 2022-11-28 10:33:07 +0100
  • 03a81b81e8 adopting to Python standards Martin Diehl 2022-11-28 09:21:47 +0100
  • 20f984fc87 adopt to new location Martin Diehl 2022-11-28 09:12:34 +0100
  • cfcb16be43 easier to find in flat layout Martin Diehl 2022-11-28 09:11:34 +0100
  • 0508fa9ec2 flatten solver data layout Martin Diehl 2022-11-27 17:07:25 +0100
  • 39157b75b7 plane waves have known solutions Martin Diehl 2022-11-26 11:58:36 +0100
  • 6be1d43dc6 gradient/curl/div of constant fields are zero Martin Diehl 2022-11-26 07:46:14 +0100
  • bfdd072d06 [skip ci] updated version information after successful test of v3.0.0-alpha7-160-g92ae86b63 Test User 2022-11-26 02:15:10 +0100
  • 92ae86b636 Merge branch 'fix-mypy-no-implicit-optional' into 'development' Martin Diehl 2022-11-25 21:25:33 +0000
  • 8993b5caac Merge branch '232-residualstiffness-residualphi' into 'development' Philip Eisenlohr 2022-11-25 15:12:54 +0000
  • 73508ca4b7 Merge branch 'test-hybridIA' into 'development' Franz Roters 2022-11-25 14:21:39 +0000
  • aca6ae928d [skip ci] updated version information after successful test of v3.0.0-alpha7-152-g36f050a08 Test User 2022-11-25 13:16:48 +0100
  • 36f050a085 Merge branch 'polish-YAML-parsing' into 'development' Franz Roters 2022-11-25 07:55:31 +0000
  • af24d47b9a Shorter YAML code Philip Eisenlohr 2022-11-25 07:55:31 +0000
  • 77be2c0d4c standard way to report Martin Diehl 2022-11-25 07:00:15 +0100
  • e10f9fa299 not useful here Martin Diehl 2022-11-25 01:25:36 +0100
  • f8844285d7 putting understanding of hybridIA into code Martin Diehl 2022-11-24 11:38:16 +0100
  • df4c0fbc33 [skip ci] updated version information after successful test of v3.0.0-alpha7-149-g99673bb86 Test User 2022-11-25 00:56:42 +0100
  • 99673bb865 Merge branch '162-error-stress-bc-grid' into 'development' Sharan Roongta 2022-11-24 12:50:39 +0000
  • 2884c3c2c9 [skip ci] updated version information after successful test of v3.0.0-alpha7-146-g19fbfb096 Test User 2022-11-24 13:08:58 +0100
  • 42e0bf8689 use Marc2022.3 for testing Franz Roters 2022-11-24 12:16:06 +0100
  • 9d71ffa3ee better naming Sharan Roongta 2022-11-24 11:23:10 +0100
  • eea0c4c44c return was missing Martin Diehl 2022-11-24 10:15:23 +0100
  • deb8ebeb5b avoid confusion during reporting Martin Diehl 2022-11-22 14:24:33 +0100
  • 19fbfb0968 Merge branch '230-polynomial-get' into 'development' Martin Diehl 2022-11-24 06:58:17 +0000
  • 6a701db211 support Marc 2022.3 Franz Roters 2022-11-23 17:20:35 +0100
  • 3334d0845c [skip ci] updated version information after successful test of v3.0.0-alpha7-143-gb2fcd1ec1 Test User 2022-11-23 09:23:04 +0100
  • 6315f97f4a added explicit Optional type hint Philip Eisenlohr 2022-11-22 16:26:15 -0500
  • b2fcd1ec1b Merge branch 'grid-spectral-simplifications' into 'development' Daniel Otto de Mentock 2022-11-22 18:24:03 +0000
  • 4a49523720 Merge branch 'mypy-etc-polish' into 'development' Franz Roters 2022-11-22 14:39:52 +0000
  • cbe2e74cdd Collection of small polishing steps Philip Eisenlohr 2022-11-22 14:39:51 +0000
  • 3fb0b5d099 removed superfluous asDict specification for polynomials arguments Daniel Otto de Mentock 2022-11-22 14:20:19 +0100
  • 6f6e143f5f [skip ci] updated version information after successful test of v3.0.0-alpha7-125-g762a5de6c Test User 2022-11-21 05:14:06 +0100
  • 762a5de6c9 Merge branch '205-name-for-coefficient-of-thermal-expansion' into 'development' Philip Eisenlohr 2022-11-20 23:56:59 +0000
  • cad4cbc5d2 circument bug in gfortran Martin Diehl 2022-11-20 21:04:42 +0100
  • c73f777b5c [skip ci] updated version information after successful test of v3.0.0-alpha7-122-g815d825fa Test User 2022-11-20 17:10:14 +0100
  • 815d825fac Merge branch 'material_add' into 'development' Martin Diehl 2022-11-20 12:59:01 +0000
  • 2173c9e499 undo weighting needed for restart Martin Diehl 2022-11-20 13:36:03 +0100
  • 34fb7e921a use self-documenting code Martin Diehl 2022-11-20 12:58:50 +0100
  • ef435ee7d1 commonly used variable name Martin Diehl 2022-11-18 07:14:05 +0100
  • 6907ca60b3 adjustments to make mypy happy Philip Eisenlohr 2022-11-19 20:55:23 -0500
  • 9b80ff623b faster operation Martin Diehl 2022-11-19 13:35:55 +0100
  • eb226d237f better readable Martin Diehl 2022-11-19 13:25:21 +0100
  • 6db3b72c89 avoid global variables Martin Diehl 2022-11-19 13:05:12 +0100
  • f22ff8fa25 avoid state-changing functions Martin Diehl 2022-11-19 12:36:56 +0100
  • ad3c18b29b avoid use of global variables Martin Diehl 2022-11-19 12:24:16 +0100
  • 7de3da50e7 include weighting operation into Gamma operator Martin Diehl 2022-11-19 11:48:21 +0100
  • cb6df618fe avoid global variables Martin Diehl 2022-11-19 10:50:15 +0100
  • 9160c63adf [skip ci] updated version information after successful test of v3.0.0-alpha7-111-g30b23df2d Test User 2022-11-19 11:31:43 +0100
  • 18b8923929 centralize FFTs Martin Diehl 2022-11-19 09:25:06 +0100