- 19 May, 2020 8 commits
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Remi Perenon authored
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Remi Perenon authored
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Remi Perenon authored
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Javier Gonzalez-Platas authored
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Remi Perenon authored
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juan rodriguez-carvajal authored
Changes in CFML_Atom_Mod.f90: increasing the length of AtmInfo component, CFML_Form_CIF.f90: allow writing information lines at the end of a CFL file, updating GLOpSAnn.f90 to take into account the above changes.
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- 18 May, 2020 4 commits
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Javier Gonzalez-Platas authored
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Javier Gonzalez-Platas authored
Utype should be "u_ij","b_ij" or "beta" ThType = iso or ani
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juan rodriguez-carvajal authored
Correcting bugs in writing CIFs and the B-iso that were systematically multiplied by 8 Pi^2. Now on reading a CFL file one can give UType in the line of atoms to tell the program that you want to keep Uiso instead of Biso (default).
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Remi Perenon authored
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- 17 May, 2020 7 commits
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Javier Gonzalez-Platas authored
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Javier Gonzalez-Platas authored
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Javier Gonzalez-Platas authored
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Javier Gonzalez-Platas authored
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Javier Gonzalez-Platas authored
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juan rodriguez-carvajal authored
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- 16 May, 2020 4 commits
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Javier Gonzalez-Platas authored
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Remi Perenon authored
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Remi Perenon authored
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- 15 May, 2020 2 commits
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Javier Gonzalez-Platas authored
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- 14 May, 2020 15 commits
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Remi Perenon authored
Debug docker, change in Docker clean script to remove volumes, and do not download artifacts for post-CI Docker clean
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juan rodriguez-carvajal authored
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juan rodriguez-carvajal authored
Change in Set_SpaceG.f90 to avoid the output of anti-centred coordinates in case of magnetic space groups of type 4.
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Remi Perenon authored
Build solving may 2020 ci issues See merge request !5
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Javier Gonzalez-Platas authored
The Database files are located now on src08/databases. A new environment variable CRYSFML_DB have to be defined to pointer this new location. For example: CRYSFML_DB=C:\CrysFML\Src08\Databases
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Remi Perenon authored
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Remi Perenon authored
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Remi Perenon authored
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Remi Perenon authored
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Remi Perenon authored
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Remi Perenon authored
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Remi Perenon authored
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https://code.ill.fr/scientific-software/crysfmlJavier Gonzalez-Platas authored
# Conflicts: # Src08/Testing/CIFs/testfile.cfl
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Javier Gonzalez-Platas authored
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