- 28 Jul, 2021 2 commits
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juan rodriguez-carvajal authored
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- 22 Jul, 2021 2 commits
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Elisa Rebolini authored
Feature - Python_api wheels See merge request !17
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Auto stash before merge of "feature-python_api-build_wheels" and "origin/feature-python_api-build_wheels"
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- 18 Jul, 2021 1 commit
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juan rodriguez-carvajal authored
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- 12 Jul, 2021 2 commits
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juan rodriguez-carvajal authored
Committing a change made by Nebil concerning the subroutine Get_Conventional_Cell (the type of lattice - mP, oI, ..- has been included.
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- 08 Jul, 2021 1 commit
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Elisa Rebolini authored
Feature python api wyckoff See merge request !16
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- 06 Jul, 2021 1 commit
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juan rodriguez-carvajal authored
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- 05 Jul, 2021 3 commits
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Elisa Rebolini authored
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Elisa Rebolini authored
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Elisa Rebolini authored
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- 13 May, 2021 2 commits
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Javier Gonzalez-Platas authored
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Ross JOHN ANGEL authored
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- 08 May, 2021 2 commits
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Javier Gonzalez-Platas authored
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Javier Gonzalez-Platas authored
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- 07 May, 2021 9 commits
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juan rodriguez-carvajal authored
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juan rodriguez-carvajal authored
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juan rodriguez-carvajal authored
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Elisa Rebolini authored
compil option to disable Qparallel See merge request !15
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juan rodriguez-carvajal authored
Changing the names of source files to have the same name as the corresponding module. Only those that depend on the compiler have not been changed (eg. CFML_GlobalDeps).
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Elisa Rebolini authored
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Elisa Rebolini authored
Feature python api powder diffraction See merge request !14
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Elisa Rebolini authored
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- 06 May, 2021 1 commit
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Ross JOHN ANGEL authored
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- 01 May, 2021 3 commits
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juan rodriguez-carvajal authored
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juan rodriguez-carvajal authored
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juan rodriguez-carvajal authored
Eliminating the sub-directory Program_Examples/CFML_Groups that has been moved to FullProf/Src in ProgCMFL, because it contains Fortran 2003-2008 instructions that are not in CrysFML. This directory will be superseded by the new library CrysFML08 as soon as it is operational.
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- 30 Apr, 2021 2 commits
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juan rodriguez-carvajal authored
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juan rodriguez-carvajal authored
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- 29 Apr, 2021 3 commits
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Elisa Rebolini authored
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Elisa Rebolini authored
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Elisa Rebolini authored
getters for multiple phases + nref in reflection list + correct initialisation of job info for cif files
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- 28 Apr, 2021 3 commits
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Elisa Rebolini authored
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Elisa Rebolini authored
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Elisa Rebolini authored
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- 27 Apr, 2021 3 commits
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Elisa Rebolini authored
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nebil a. katcho authored
When bvel calculations are performed, the site energy for the mobile species is computed and the energies are displayed in the bvs file.
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Elisa Rebolini authored
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