Ticket #5428 (closed: fixed)
Add temperature option to Fourier transform of Sassena intermediate scattering function
Reported by: | Jose Borreguero | Owned by: | Jose Borreguero |
---|---|---|---|
Priority: | major | Milestone: | Release 2.4 |
Component: | Mantid | Keywords: | |
Cc: | Blocked By: | ||
Blocking: | Tester: | Andrei Savici |
Description (last modified by Jose Borreguero) (diff)
To apply the Schofield's detailed balance condition for the classical S(q,w), allow the user to set a temperature value when doing the Fourier transform of the Sassena intermediate scattering function
References:
- Schofield, Phys. Rev. Letters 4(5), 239 (1960).
Change History
comment:3 Changed 8 years ago by Jose Borreguero
Refs #5428 Included options for Temperature input
modified: SassenaFFT.cpp
Changeset: e484c7c14abcf1cab467c3bfe3532a7c46f1b943
comment:4 Changed 8 years ago by Jose Borreguero
Refs #5428 Fix silly mistake
modified: SassenaFFT.cpp
Changeset: f2be559ad07809eaf7000182828e687ccdab85f1
comment:5 Changed 8 years ago by Jose Borreguero
Refs #5428 Remove blank spaces in property names
modified: SassenaFFT.cpp
Changeset: 64bd38e4712fcb482c5f1ea29f2d462c4bab3d3f
comment:6 Changed 8 years ago by Jose Borreguero
Refs #5428 Included options for Temperature input
modified: SassenaFFT.cpp
Changeset: e484c7c14abcf1cab467c3bfe3532a7c46f1b943
comment:7 Changed 8 years ago by Jose Borreguero
Refs #5428 Fix silly mistake
modified: SassenaFFT.cpp
Changeset: f2be559ad07809eaf7000182828e687ccdab85f1
comment:8 Changed 8 years ago by Jose Borreguero
Refs #5428 Remove blank spaces in property names
modified: SassenaFFT.cpp
Changeset: 64bd38e4712fcb482c5f1ea29f2d462c4bab3d3f
comment:9 Changed 8 years ago by Jose Borreguero
Refs #5428 improved error testing
modified: SassenaFFT.h modified: SassenaFFT.cpp modified: SassenaFFTTest.h
Changeset: 43000672a5b53bb262727b05d099dc8dc2df8edc
comment:10 Changed 8 years ago by Jose Borreguero
Refs #5428 Prevent testing until issue resolved
modified: CMakeLists.txt
Changeset: 32aa6838ff556463f51584e168ebc8603f14571d
comment:11 Changed 8 years ago by Jose Borreguero
Refs #5428 Fix unit test
modified: CMakeLists.txt modified: src/SassenaFFT.cpp modified: test/SassenaFFTTest.h
Changeset: 5b278746acd8b56c1c4f67b74a927372f3dd7d61
comment:12 Changed 8 years ago by Jose Borreguero
Refs #5428 Temporarily removing SassenaFFTTest execution
modified: CMakeLists.txt
Changeset: 2fc34591879bdfe0d070a3bf50f3136d4450a1c0
comment:13 Changed 8 years ago by Jose Borreguero
Refs #5428 Fix fmax and sqrt issue with Windows build
modified: CMakeLists.txt modified: test/SassenaFFTTest.h
Windows only has versions of std::sqrt for doubles & floats, not int. Cast to double first fmax is an old cfunction that windows doesn't bring into the global namespace. Use std::max instead.
Changeset: 2ecf07d1181586871edd97a26c465c772989f8b1
comment:14 Changed 8 years ago by Jose Borreguero
- Status changed from accepted to verify
- Resolution set to fixed
comment:16 Changed 8 years ago by Jose Borreguero
- Status changed from verify to reopened
- Resolution fixed deleted
comment:17 Changed 8 years ago by Jose Borreguero
Refs #5428 improved error testing
modified: SassenaFFT.h modified: SassenaFFT.cpp modified: SassenaFFTTest.h
Changeset: 43000672a5b53bb262727b05d099dc8dc2df8edc
comment:18 Changed 8 years ago by Jose Borreguero
Refs #5428 Prevent testing until issue resolved
modified: CMakeLists.txt
Changeset: 32aa6838ff556463f51584e168ebc8603f14571d
comment:19 Changed 8 years ago by Jose Borreguero
Refs #5428 Fix unit test
modified: CMakeLists.txt modified: src/SassenaFFT.cpp modified: test/SassenaFFTTest.h
Changeset: 5b278746acd8b56c1c4f67b74a927372f3dd7d61
comment:20 Changed 8 years ago by Jose Borreguero
Refs #5428 Temporarily removing SassenaFFTTest execution
modified: CMakeLists.txt
Changeset: 2fc34591879bdfe0d070a3bf50f3136d4450a1c0
comment:21 Changed 8 years ago by Jose Borreguero
Refs #5428 Fix fmax and sqrt issue with Windows build
modified: CMakeLists.txt modified: test/SassenaFFTTest.h
Windows only has versions of std::sqrt for doubles & floats, not int. Cast to double first fmax is an old cfunction that windows doesn't bring into the global namespace. Use std::max instead.
Changeset: 2ecf07d1181586871edd97a26c465c772989f8b1
comment:24 Changed 8 years ago by Jose Borreguero
- Status changed from accepted to verify
- Resolution set to fixed
HDF5 libraries have been updated, now algorithms dealing with sassena work
comment:25 Changed 8 years ago by Andrei Savici
- Status changed from verify to verifying
- Tester set to Andrei Savici
comment:26 Changed 8 years ago by Jose Borreguero
Refs #5428 Make use of PhysicalConstants::meVtoKelvin
modified: ../inc/MantidAlgorithms/SassenaFFT.h modified: ../test/SassenaFFTTest.h
Changeset: e70858cb2199fcd0c8f021493dc2862882f485ac
comment:27 Changed 8 years ago by Andrei Savici
- Status changed from verifying to closed
See ticket #6510 for a new bug
comment:28 Changed 8 years ago by Jose Borreguero
Refs #5428 Make use of PhysicalConstants::meVtoKelvin
modified: ../inc/MantidAlgorithms/SassenaFFT.h modified: ../test/SassenaFFTTest.h
Changeset: e70858cb2199fcd0c8f021493dc2862882f485ac
comment:29 Changed 5 years ago by Stuart Campbell
This ticket has been transferred to github issue 6274