- Jan 21, 2025
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juan rodriguez-carvajal authored
Removing Powder directory from Testing. See merge request !90
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- Jan 16, 2025
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Nebil Ayape Katcho authored
Updating master with nebil's changes. See merge request !89
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nebil a. katcho authored
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nebil a. katcho authored
This programs computes a powder diffraction pattern from a CFL file. An example is given by Al2O3.cfl.
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nebil a. katcho authored
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nebil a. katcho authored
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nebil a. katcho authored
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nebil a. katcho authored
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nebil a. katcho authored
Module containing types that depend on Forpy.
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nebil a. katcho authored
CFML_Python: no longer needed. CFML_Forpy_Utilities: its name will be changed to CFML_Py_Utilities.
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nebil a. katcho authored
CFML_IOForm: New routines for reading phase and pattern information from a CFL file. CFML_Forpy_Utilities: New module, it contains all procedures that depend on Forpy. This is important because if these routines want to be used in a Fortran program, linking with Python library is needed.
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- Dec 24, 2024
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juan rodriguez-carvajal authored
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- Dec 22, 2024
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nebil a. katcho authored
New type: phase_type. Start implementing functions for reading and writting info of a phase described with a CFL file. Not finished yet.
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- Dec 19, 2024
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nebil a. katcho authored
Bugs fixed in the new functions introduced in CFML_IOForm. In CFML_Utilities, Powpat has been renamed as Powpatt, for both CW and TOF modes.
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nebil a. katcho authored
The class DiffPatt_Conditions_Type has been introduced. It is the parent class for PowPatt_CW_Conditions_Type and PowPatt_TOF_Conditions_Type.
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nebil a. katcho authored
Types powpat_cw_conditions and powpat_tof_conditions renamed as powpat_cw_conditions_type and powpat_tof_conditions_type and move from CFML_Utilities to CFML_Diffpatt.
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nebil a. katcho authored
Functions Get_CFL_Block_Info and Get_CFL_NBlock added to CFML_IOForm.f90.
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nebil a. katcho authored
This directory was created to perform Python tests. This tests are in PyCrysFML directory now, so this directory is no longer needed.
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- Dec 16, 2024
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Nebil Ayape Katcho authored
Asymmetry See merge request !88
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Nebil Ayape Katcho authored
Correcting the stupid requirement of Gfortran that need to construct a... See merge request !87
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nebil a. katcho authored
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Nebil Ayape Katcho authored
Correcting the stupid requirement of Gfortran that need to construct a... See merge request !86
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juan rodriguez-carvajal authored
Correcting the stupid requirement of Gfortran that need to construct a constant array of characters exactly with the same number of characters even if each component has a larger length.
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Nebil Ayape Katcho authored
Master See merge request !85
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juan rodriguez-carvajal authored
Updating Profile_Finger See merge request !84
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juan rodriguez-carvajal authored
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Nebil Ayape Katcho authored
Master See merge request !83
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juan rodriguez-carvajal authored
Changes in Nexus_Mod.f90 See merge request !82
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juan rodriguez-carvajal authored
Modification of CFML_Profiles/Profile_Finger.f90 to avoid singularity around 90 degrees. See merge request !81
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juan rodriguez-carvajal authored
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- Dec 14, 2024
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Nebil Ayape Katcho authored
Powder pattern calculation for CW and TOF. See merge request !80
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nebil a. katcho authored
In json file, parameters asym1 and asym2 renamed as s_l and d_l.
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nebil a. katcho authored
Function Expi_E1 is public now to avoid errors when compiling with gfortran.
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Nebil Ayape Katcho authored
Mergin last changes of Juan in nebil branch See merge request !79
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- Dec 13, 2024
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nebil a. katcho authored
Zero and asymmetry implemented for constant wavelength.
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juan rodriguez-carvajal authored
Initializing to zero the temperature factors when not given in CIF files.... See merge request !77
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nebil a. katcho authored
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nebil a. katcho authored
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nebil a. katcho authored
Parameter "y" for computing powder pattern in constant wavelength mode was read but not used. Bug fixed.
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