Commits · feature-python_api-powder_diffraction · Scientific Software / CrysFML

07 May, 2021 1 commit
- Merge branch 'master' into feature-python_api-powder_diffraction · 6b5c0c2c
  Elisa Rebolini authored May 07, 2021
  
  6b5c0c2c
06 May, 2021 1 commit
- reversion of changes to HP thermal pressure eos in cfml_eos · a6c331f5
  Ross JOHN ANGEL authored May 06, 2021
  
  a6c331f5
01 May, 2021 3 commits
- Still eliminating unused variables · 8e1404bc
  juan rodriguez-carvajal authored May 01, 2021
  
  8e1404bc
- Eliminating unused variables in CFML_Conf_Calc.f90 · 907b9164
  juan rodriguez-carvajal authored May 01, 2021
  
  907b9164
- Eliminating the sub-directory Program_Examples/CFML_Groups that has been moved... · 898ef4ee
  juan rodriguez-carvajal authored May 01, 2021
```
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 This directory will be superseded by the new library CrysFML08 as soon as it is operational.
```
  898ef4ee
30 Apr, 2021 2 commits
- Adding a comment in CFML_Conf_Calc.f90 · 88d2c66f
  juan rodriguez-carvajal authored Apr 30, 2021
  
  88d2c66f
- Eliminating a comment in Bond_Str.f90 · 427f0b30
  juan rodriguez-carvajal authored Apr 30, 2021
  
  427f0b30
29 Apr, 2021 3 commits
- correct type in nref in reflection list · f2451217
  Elisa Rebolini authored Apr 29, 2021
  
  f2451217
- correct type in nref in reflection list · fb3fa3ad
  Elisa Rebolini authored Apr 29, 2021
  
  fb3fa3ad
- getters for multiple phases + nref in reflection list + correct initialisation... · c5911187
  Elisa Rebolini authored Apr 29, 2021
```
getters for multiple phases + nref in reflection list + correct initialisation of job info for cif files
```
  c5911187
28 Apr, 2021 3 commits
- Merge branch 'feature-python_api-jobinfo_type' into feature-python_api-powder_diffraction · c14c0025
  Elisa Rebolini authored Apr 28, 2021
  
  c14c0025
- Merge branch 'master' into feature-python_api-powder_diffraction · 04eb182d
  Elisa Rebolini authored Apr 28, 2021
  
  04eb182d
- binding reflection_list getitem · 06e9b25f
  Elisa Rebolini authored Apr 28, 2021
  
  06e9b25f
27 Apr, 2021 3 commits
- binding for reflection type -- getters · aa72aa60
  Elisa Rebolini authored Apr 27, 2021
  
  aa72aa60
- Calculation of the site energy. · a93f95df
  nebil a. katcho authored Apr 27, 2021
```
When bvel calculations are performed, the site energy for the mobile species is computed and the
energies are displayed in the bvs file.
```
  a93f95df
- add background to ycalc · 92a012de
  Elisa Rebolini authored Apr 27, 2021
  
  92a012de
25 Apr, 2021 2 commits
- Completing the change made by Ross last time in CFML_Cryst_Types.f90. Changes... · 81dffee7
  juan rodriguez-carvajal authored Apr 25, 2021
```
Completing the change made by Ross last time in CFML_Cryst_Types.f90. Changes in select case construct of Get_Cryst_Orthog_Matrix and Get_Deriv_Orth_Cell were needed.
```
  81dffee7
- fix setter for y resolution · f6816f39
  Elisa Rebolini authored Apr 25, 2021
  
  f6816f39
23 Apr, 2021 3 commits
- setters for all resolution parameters · b6c3d77d
  Elisa Rebolini authored Apr 23, 2021
  
  b6c3d77d
- UVWXY setters and getters · 709c61da
  Elisa Rebolini authored Apr 23, 2021
  
  709c61da
- setter for range_2theta · d4513da1
  Elisa Rebolini authored Apr 23, 2021
  
  d4513da1
22 Apr, 2021 1 commit
- UVWXY parameters · 1a1a8c55
  Elisa Rebolini authored Apr 22, 2021
  
  1a1a8c55
19 Apr, 2021 1 commit
- job type and structure factors · 8a579386
  Elisa Rebolini authored Apr 19, 2021
  
  8a579386
12 Apr, 2021 1 commit
- fixes to physical_check in cfml_eos_mod · c3bdee83
  Ross JOHN ANGEL authored Apr 12, 2021
  
  c3bdee83
08 Apr, 2021 4 commits
- minor edits of spaces · 5a59a8ec
  Ross JOHN ANGEL authored Apr 08, 2021
  
  5a59a8ec
- Merge branch 'master' of https://code.ill.fr/scientific-software/crysfml into Angel_March2021 · 5b8d7828
  Ross JOHN ANGEL authored Apr 08, 2021
```
# Conflicts:
#	Src/CFML_EoS_Mod.f90
```
  5b8d7828
- fixes to cfml_eos eosparams_check · a368ab9e
  Ross JOHN ANGEL authored Apr 08, 2021
  
  a368ab9e
- Updating EoS Module · 294cc628
  Javier Gonzalez-Platas authored Apr 08, 2021
  
  294cc628
04 Apr, 2021 1 commit
- Fixing parameter order in SF_job binding function · 72db1a15
  Remi Perenon authored Apr 04, 2021
  
  72db1a15
03 Apr, 2021 1 commit
- Fixed missing sind in gfortran compilation · 77cf153b
  Remi Perenon authored Apr 03, 2021
  
  77cf153b
02 Apr, 2021 6 commits
- Merge branch 'master' of https://code.ill.fr/scientific-software/crysfml into Angel_March2021 · 5e906aa9
  Ross JOHN ANGEL authored Apr 02, 2021
  
  5e906aa9
- Updating eos Module · 36128ec2
  Javier Gonzalez-Platas authored Apr 02, 2021
  
  36128ec2
- Merge branch 'master' of https://code.ill.fr/scientific-software/crysfml into Angel_March2021 · 325416bb
  Ross JOHN ANGEL authored Apr 02, 2021
  
  325416bb
- cfml eos · b7d46b9f
  Ross JOHN ANGEL authored Apr 02, 2021
  
  b7d46b9f
- Updating EoS Module · ebf1774c
  Javier Gonzalez-Platas authored Apr 02, 2021
  
  ebf1774c
- Merge branch 'master' of https://code.ill.fr/scientific-software/crysfml into Angel_March2021 · 72c20a76
  Ross JOHN ANGEL authored Apr 02, 2021
  
  72c20a76
01 Apr, 2021 4 commits
- Merge branch 'master' of https://code.ill.fr/scientific-software/crysfml · dcfd5542
  Javier Gonzalez-Platas authored Apr 01, 2021
  
  dcfd5542
- Change name of Liner_Allowed by Linear_EoS_Allowed · d9a6b4fb
  Javier Gonzalez-Platas authored Apr 01, 2021
  
  d9a6b4fb
- Merge branch 'master' of https://code.ill.fr/scientific-software/crysfml into Angel_March2021 · 914c3d64
  Ross JOHN ANGEL authored Apr 01, 2021
  
  914c3d64
- Merge branch 'master' of https://code.ill.fr/scientific-software/crysfml into Angel_March2021 · 78b9f4c3
  Ross JOHN ANGEL authored Apr 01, 2021
```
# Conflicts:
#	Src/CFML_EoS_Mod.f90
```
  78b9f4c3