and push
BIG commit, many minor issues solved
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Important fix in remove_dupl()
detection of supercells and correction
New vesion of ITO
- minor dicvol changes
Merge branch 'master' of ssh://git.code.sf.net/p/paracell/code into master
a lot of minor changes
- GPU unit cell refinement (lsq) added and tested
GPU lsq unit cell refinement for tric, mono and ortho
patch to the last commit :)
Many fixes
- input files reading changed - firstly process the cfg file, then the other files...
few errors are fixed
hkl triples are now dyn. allocated => can be almost arbitrary high or low (tested for 5000)
New reading cmd arguments
hkl triplets are generated automatically (.hkl files are not needed)
Merge branch 'master' of ssh://git.code.sf.net/p/paracell/code into master
- help added
Just Merging...
Dicvol changed to "if (stop) break;"
.DIC file accepted now
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instalation
experimental support of ITO method is added
feature stop_fm20 supported in all methods
a minor bug in grid search removed
several fixes:
small updatein final optimization
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a small update of GPU dichotomy
GPU dichotomy is improved:
a few bugs in grid search (for triclinic) corrected
small update of GPU dichotomy
The first version with GPU-pure dichotomy method
Help generated in the program
bugs in dichotomy method removed (I hope so)
- MAX_THEO_THETA and MAX_TRIPLES have the same value
Merge branch 'master' of ssh://git.code.sf.net/p/paracell/code into master
3 variants of dichotomy method are available
Merge branch 'master' of ssh://git.code.sf.net/p/paracell/code
- check for using the uninitiated variables
- Dicvol seems to be ready for testing (all crystallographic systems)
support for rhombohedral system added
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- hkl triples for dicvol are automatically generated
- generation of hkl triplets completed for all systems
Dicvol_mono_direct modified
just one bug
Dicvol_tric
- dicvol - dynamic step calculation based on the parameter range size
- some changes in Dicvol mono and triclinic (direct)
Merge branch 'master' of ssh://git.code.sf.net/p/paracell/code into master
corrected a bug in processing the input file, progress is printed for GRID methods
Final optimization added
dichotomy method for systems 1,2,3
grid for systems 1-3
remove old debugs etc.
Dicvol_mono_direct - volume calculation changed and some bug repaired
Source code formating
Dicvol for monoclinic in direct space added
- Dicvol triclinic modified and added as a dic_search_tri_direct function
First commit, just testing...
Initial commit
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