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  • Thierry
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Created with Raphaël 2.2.018Jun24Mar27Feb4329Jan2824Dec164229Nov201612725Oct247112Jul25Jun13108May730Apr320Feb1222Dec24Nov23221399Oct21Sep156Jul5Jun12May11427Apr26242029Mar231927Feb13Jan30Nov29161428Oct27830Sep2821511Jul621Jun227May1210643229Apr2827221131Mar251521Feb2019181413111087428Jan2424Dec416Nov21Oct20627Sep1312Aug28Jul2221201918161514131210986513May876130Apr29282725232219128432131Mar2719109226Feb24232217827Jan212019139Dec7126Nov2319136523Oct1716151496229Sep15141211102131Aug30272625241714121028Jul20171615131097627Jun2625242322201918171615141197231May302925242322212019181716151413121110Changes in one script and minor correctionsjrc_branchjrc_branchUpdating cmd+environments.txtModifying cmd+environments.txtUpdating information fileAdding information filesCosmetic changesChanging line terminatorsJust a commentCorrecting a bug in SetNum_STD: handing the second digit being zero. This is only needed for sigma values less that 1.0.Correcting a bug in CFML_IO_Formats.f90 (aniso_lugar(8)!). Updating CFML_PowderProfiles_Finger.f90Merge branch 'jrc_branch' into 'master'mastermasterIntroducing CPU tiem calculation in Calc_Sfac.f90 and Calc_mSfac.f90Modifications in CFML_Scattering_Chemical_Tables.f90 to introducing the magnetic form factor of Re6+. Modification in CFML_Structure_Factors.f90 for a better control of X-ray scattering factor when the symbol of the scattering factor is not correct. Now a trial using the chemical symbol is added.Merge branch 'master' into 'testing-fpm'testing-fpmtesting-fpmMerge branch 'jrc_branch' into 'master'Changes for controlling bad input CIF files for _atom_site_type_symbol values and consequent modifications of Calc_Sfac.f90. Updating some subroutines in CFML_IO_Formats.f90 and in CFML_String_Utilities.f90.Merge branch 'jrc_branch' into 'master'Updating the CFML_IO_Formats.f90Merge branch 'jrc_branch' into 'master'Committing to jrc_branchMerge branch 'master' of https://code.ill.fr/scientific-software/crysfmlSmall corrections in CFML_Geometry_Calc.f90 concerning the calls to subroutine Write_SymTrans_CodeMerge branch 'Thierry' into 'master'read .ins from OLEXThierryThierryfirst commitCorrecting a typoChanges in the subroutine Write_SymTrans_Code to be compatible with few options and removing Write_CIF_SymTrans_Code. Modifying CFML_Geometry_Calc.f90 to take into account the previous change and CFML_EoS.f90 for using "reshape" in the "inta" arrays.Correcting an assignment on CFML_EoS.f90 (reshape!)Incorporating some changes proposed by Ross Angel.Updating CFML_String_Utilities.f90 (suggested by Ross Angel)Merge branch 'testing-fpm' into 'master'Minor changes in CFML_Crystallographic_Symmetry and set_compiler_flags.cmakeUpdating files containing the subroutine Write_CIF_SymmTrans within the module CFML_IO_Formats.f90. Useful for writing distances in CIF files. The similar subroutine in CFML_Crystallographic_Symmetry, called Write_SymTrans_Code, is used for writing strings in restraints (e.g. using DIFX commands) and its way of writing is not the same.Changes in CFML_IO_Formats.f90 for allowing the reading and writing of anisotropic displacement parameters in CIF files handling magnetic structures.Merge branch 'testing-fpm' into 'master'Implementing and independent calculation of the sigmas of a position that is transformed by a symmetry operator. The subroutine is overloaded for cases in which the user has the variance-covariance matrix of the vector position or just the sigma values.Modification of the format for output molecules in CFML_Molecular_Crystals.f90Merge branch 'testing-fpm' into 'master'Reverting a previous change in CFML_Reflections_Utilities.f90 (asymmetric unit of Laue class m-3m)Merge branch 'testing-fpm' into 'master'