Releases: PKua007/rampack
Releases · PKua007/rampack
v1.2.0
Fixed
- Corrected RAMSNAP format documentation.
- Using
--continue
on a finished run without averaging phases no longer throwsPreconditionException
(#68). - Improved numerical stability of class
optimize_cell
.
Before the fix, the minimal distance may have been determined incorrectly in selected cases.
Changed
- Internal error reports now show a relative path of source location instead of an absolute one.
- Documentation directory
doc/
renamed todocs/
(needed for GitHub to recognize
contributing.md). - Distance definition is now generalized to distance vector in binning types.
- Shape functions can now be multivalued.
- Class
axis
shape function can now also output all three components of the axis.
Added
- Added global/local switch for class
bond_order
. - Added class
s220
and classs221
correlation functions. - Added class
linear
binning type. - Added class
q_tensor
shape function. - Added class
bin_averaged_function
bulk observable. - Added
print_count
switch to classpair_density_correlation
, classpair_averaged_correlation
,
classdensity_histogram
, classprobability_evolution
and
classbin_averaged_function
observables. - Added
normalization
arguments to classdensity_histogram
. - Added the source code walkthrough document.