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Releases: ij3tt/amorph
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AMORPH 1.1.0
The graphical interface shows the estimate of a run while the sampler
works, reports several seeds of one sample together and draws their
figures for LaTeX. The sampler and its results are those of 1.0.2.
Pre-releases (v1.1.0-rc.1, ...) come before the release, on GitHub only.
Added
-
«Прогоны» shows the estimate of the run while the sampler works: the
amorphous fraction with its 50% and 90% intervals from all the saves so
far with their posterior weights, how it moved over the saves, the
effective sample size, log(Z) and whether the estimate has settled; and
the background, the amorphous halo, the crystalline peaks and the model,
each a layer that can be hidden, for the posterior mean so far, the best
sample or the last saved one, with their levels among those of the
sampler. It used to show only the last saved sample, which once the
levels are built is usually from a low level and fits the data worse
than the posterior. The estimate is updated every second; when it takes
longer, as on a slow computer or late in a long run, it waits four
times as long as it took, and the plots are redrawn only for a new
estimate. -
«Сравнение»: the options file and the saves of each run, its effective
sample size, log(Z) against the best run of the same data and settings,
and its checks; a run 5 nats or more below the best did not converge
and is unticked. The ticked runs make a joint report (the fraction of
all the seeds together, the spread of their medians, warnings, a line
for a paper) and a figure, in the style ofdoc/figures/xrd_fit.texor
with two panels (doc/figures/xrd_seeds.tex), exported as the tables of
PGFPlots, a folder for LaTeX, PDF and SVG built with the LaTeX
installed, or PNG. «Добавить папку…» adds every archive of a folder.
Every run shown on «Результаты» has a row on «Сравнение», once: a run
done here (in 1.0.2 only the seeds of a batch of two or more came
there), opened from its folder, or an archive opened. -
«Данные для PGFPlots…» on «Результаты» writes the tables of
export_pgf.pyfor the run. -
«Отчёт LaTeX…» on «Результаты» and «Сравнение» writes a folder with
report.texto build withpdflatex: the result of the run or of the
ticked seeds together and the line for a paper, the table of the runs
with their checks, the data and the settings, the diagnostic cards of
each run, both figures with their tables, and how to read the numbers,
in Russian or in English as chosen in the menu of the button
(src/amorph_gui/report.py, the English texts instrings_en.py). -
doc/figures/xrd_fit.texalso builds SVG:latexanddvisvgm. -
src/amorph_seeds.pypools the seeds of a sample;
export_pgf.write_tableswrites the tables from curves in memory;
src/amorph_tex.pywrites the folders of the figures and builds them. -
«Открыть прогоны…» on «Прогоны» (or a folder chosen on «Сравнение», or
folders dropped on the window) opens runs done earlier or on another
computer from their folders, many at a time: each on «Прогоны» with its
output and its estimate rebuilt from its saves, on «Результаты» and on
«Сравнение». A run without an up-to-date archive is post-processed. -
Explanations in the GUI: a «?» next to each card, figure and group of
settings explains in plain words what it shows, and «Справка» (F1) has
all these explanations on one page; the numbers, the columns of the
tables, the views and the layers have tooltips. The intervals read
"с вероятностью 50% — от … до …" instead of "50% [ , ]", and the
column «Доля [25%, 75%]» of «Сравнение» is «Доля [50% интервал]». -
A splash screen shows as soon as the GUI starts, with the step under way:
the first start of a newly unpacked package can take a minute while the
system checks its files, and without a window the program was started
again and again. The README says so too.
Changed
- The fraction on the figure of
doc/figures/xrd_fit.tex, and on its
preview in the GUI, is the median with its 50% interval, as
$62.1^{+3.0}{-3.9}$ %: the numbers that the GUI and the line for a
paper give. It was the mean: 61.4% where the median is 62.1%, as the
distribution has a longer tail towards lower fractions. The interval
is not symmetric and stays within 0-100%: near 100% it reads
$98.0^{+1.5}{-5.0}$, not 98 ± 10.export_pgf.pywrites it in
\xrdamorph, its numbers in\xrdamorphmedian,\xrdamorphloand
\xrdamorphhi; tables of an olderexport_pgf.pystill show the mean. - The words of both figures (
xrd_fit,xrd_seeds) come with their
tables, in English or in Russian (src/figure_labels.py):
export_pgf.py --language ru, the switch «язык» of «Сравнение» for the
preview and every export, the menu of «Данные для PGFPlots…» on
«Результаты», and the language of «Отчёт LaTeX…». In Russian the
fraction in percent reads «Степень аморфности», as «доля» is 0-1
everywhere else. The.texfiles of the figures load Tempora, a
Times-like font with Cyrillic, with newtxmath, instead of newtxtext;
tables of an olderexport_pgf.pyget the English words.
Fixed
- The axes of the plots of the GUI no longer scale numbers with an SI
prefix: the histogram of the fraction read 200-800 "(x0.001)". - The layout of rc.1: an empty table of «Сравнение» squeezed «Архив» and
«Настройки» to a few letters, and its hint was cut off; the table of
«Прогоны» scrolled sideways; the empty plot of the fraction ran from
-0.4 to 0.4. - In rc.1 and rc.2 the plots of «Прогоны» were updated every 5 seconds,
behind a fast sampler, and the chips of the layers were all struck
through, as if hidden.
Build and CI
- A tag v-rc. (or -beta., -alpha.) makes a GitHub
pre-release of the version, with the notes of the version.
AMORPH 1.1.0-rc.5
The graphical interface shows the estimate of a run while the sampler
works, reports several seeds of one sample together and draws their
figures for LaTeX. The sampler and its results are those of 1.0.2.
Pre-releases (v1.1.0-rc.1, ...) come before the release, on GitHub only.
Added
-
«Прогоны» shows the estimate of the run while the sampler works: the
amorphous fraction with its 50% and 90% intervals from all the saves so
far with their posterior weights, how it moved over the saves, the
effective sample size, log(Z) and whether the estimate has settled; and
the background, the amorphous halo, the crystalline peaks and the model,
each a layer that can be hidden, for the posterior mean so far, the best
sample or the last saved one, with their levels among those of the
sampler. It used to show only the last saved sample, which once the
levels are built is usually from a low level and fits the data worse
than the posterior. The estimate is updated every second; when it takes
longer, as on a slow computer or late in a long run, it waits four
times as long as it took, and the plots are redrawn only for a new
estimate. -
«Сравнение»: the options file and the saves of each run, its effective
sample size, log(Z) against the best run of the same data and settings,
and its checks; a run 5 nats or more below the best did not converge
and is unticked. The ticked runs make a joint report (the fraction of
all the seeds together, the spread of their medians, warnings, a line
for a paper) and a figure, in the style ofdoc/figures/xrd_fit.texor
with two panels (doc/figures/xrd_seeds.tex), exported as the tables of
PGFPlots, a folder for LaTeX, PDF and SVG built with the LaTeX
installed, or PNG. «Добавить папку…» adds every archive of a folder.
Every run shown on «Результаты» has a row on «Сравнение», once: a run
done here (in 1.0.2 only the seeds of a batch of two or more came
there), opened from its folder, or an archive opened. -
«Данные для PGFPlots…» on «Результаты» writes the tables of
export_pgf.pyfor the run. -
«Отчёт LaTeX…» on «Результаты» and «Сравнение» writes a folder with
report.texto build withpdflatex: the result of the run or of the
ticked seeds together and the line for a paper, the table of the runs
with their checks, the data and the settings, the diagnostic cards of
each run, both figures with their tables, and how to read the numbers,
in Russian or in English as chosen in the menu of the button
(src/amorph_gui/report.py, the English texts instrings_en.py). -
doc/figures/xrd_fit.texalso builds SVG:latexanddvisvgm. -
src/amorph_seeds.pypools the seeds of a sample;
export_pgf.write_tableswrites the tables from curves in memory;
src/amorph_tex.pywrites the folders of the figures and builds them. -
«Открыть прогоны…» on «Прогоны» (or a folder chosen on «Сравнение», or
folders dropped on the window) opens runs done earlier or on another
computer from their folders, many at a time: each on «Прогоны» with its
output and its estimate rebuilt from its saves, on «Результаты» and on
«Сравнение». A run without an up-to-date archive is post-processed. -
Explanations in the GUI: a «?» next to each card, figure and group of
settings explains in plain words what it shows, and «Справка» (F1) has
all these explanations on one page; the numbers, the columns of the
tables, the views and the layers have tooltips. The intervals read
"с вероятностью 50% — от … до …" instead of "50% [ , ]", and the
column «Доля [25%, 75%]» of «Сравнение» is «Доля [50% интервал]». -
A splash screen shows as soon as the GUI starts, with the step under way:
the first start of a newly unpacked package can take a minute while the
system checks its files, and without a window the program was started
again and again. The README says so too.
Fixed
- The axes of the plots of the GUI no longer scale numbers with an SI
prefix: the histogram of the fraction read 200-800 "(x0.001)". - The layout of rc.1: an empty table of «Сравнение» squeezed «Архив» and
«Настройки» to a few letters, and its hint was cut off; the table of
«Прогоны» scrolled sideways; the empty plot of the fraction ran from
-0.4 to 0.4. - In rc.1 and rc.2 the plots of «Прогоны» were updated every 5 seconds,
behind a fast sampler, and the chips of the layers were all struck
through, as if hidden.
Build and CI
- A tag v-rc. (or -beta., -alpha.) makes a GitHub
pre-release of the version, with the notes of the version.
AMORPH 1.1.0-rc.4
The graphical interface shows the estimate of a run while the sampler
works, reports several seeds of one sample together and draws their
figures for LaTeX. The sampler and its results are those of 1.0.2.
Pre-releases (v1.1.0-rc.1, ...) come before the release, on GitHub only.
Added
-
«Прогоны» shows the estimate of the run while the sampler works: the
amorphous fraction with its 50% and 90% intervals from all the saves so
far with their posterior weights, how it moved over the saves, the
effective sample size, log(Z) and whether the estimate has settled; and
the background, the amorphous halo, the crystalline peaks and the model,
each a layer that can be hidden, for the posterior mean so far, the best
sample or the last saved one, with their levels among those of the
sampler. It used to show only the last saved sample, which once the
levels are built is usually from a low level and fits the data worse
than the posterior. The estimate is updated every second; when it takes
longer, as on a slow computer or late in a long run, it waits four
times as long as it took, and the plots are redrawn only for a new
estimate. -
«Сравнение»: the options file and the saves of each run, its effective
sample size, log(Z) against the best run of the same data and settings,
and its checks; a run 5 nats or more below the best did not converge
and is unticked. The ticked runs make a joint report (the fraction of
all the seeds together, the spread of their medians, warnings, a line
for a paper) and a figure, in the style ofdoc/figures/xrd_fit.texor
with two panels (doc/figures/xrd_seeds.tex), exported as the tables of
PGFPlots, a folder for LaTeX, PDF and SVG built with the LaTeX
installed, or PNG. «Добавить папку…» adds every archive of a folder.
Every run shown on «Результаты» has a row on «Сравнение», once: a run
done here (in 1.0.2 only the seeds of a batch of two or more came
there), opened from its folder, or an archive opened. -
«Данные для PGFPlots…» on «Результаты» writes the tables of
export_pgf.pyfor the run. -
«Отчёт LaTeX…» on «Результаты» and «Сравнение» writes a folder with
report.texto build withpdflatex: the result of the run or of the
ticked seeds together and the line for a paper, the table of the runs
with their checks, the data and the settings, the diagnostic cards of
each run, both figures with their tables, and how to read the numbers
(src/amorph_gui/report.py). -
doc/figures/xrd_fit.texalso builds SVG:latexanddvisvgm. -
src/amorph_seeds.pypools the seeds of a sample;
export_pgf.write_tableswrites the tables from curves in memory;
src/amorph_tex.pywrites the folders of the figures and builds them. -
«Открыть прогоны…» on «Прогоны» (or a folder chosen on «Сравнение», or
folders dropped on the window) opens runs done earlier or on another
computer from their folders, many at a time: each on «Прогоны» with its
output and its estimate rebuilt from its saves, on «Результаты» and on
«Сравнение». A run without an up-to-date archive is post-processed. -
Explanations in the GUI: a «?» next to each card, figure and group of
settings explains in plain words what it shows, and «Справка» (F1) has
all these explanations on one page; the numbers, the columns of the
tables, the views and the layers have tooltips. The intervals read
"с вероятностью 50% — от … до …" instead of "50% [ , ]", and the
column «Доля [25%, 75%]» of «Сравнение» is «Доля [50% интервал]». -
A splash screen shows as soon as the GUI starts, with the step under way:
the first start of a newly unpacked package can take a minute while the
system checks its files, and without a window the program was started
again and again. The README says so too.
Fixed
- The axes of the plots of the GUI no longer scale numbers with an SI
prefix: the histogram of the fraction read 200-800 "(x0.001)". - The layout of rc.1: an empty table of «Сравнение» squeezed «Архив» and
«Настройки» to a few letters, and its hint was cut off; the table of
«Прогоны» scrolled sideways; the empty plot of the fraction ran from
-0.4 to 0.4. - In rc.1 and rc.2 the plots of «Прогоны» were updated every 5 seconds,
behind a fast sampler, and the chips of the layers were all struck
through, as if hidden.
Build and CI
- A tag v-rc. (or -beta., -alpha.) makes a GitHub
pre-release of the version, with the notes of the version.
AMORPH 1.1.0-rc.3
The graphical interface shows the estimate of a run while the sampler
works, reports several seeds of one sample together and draws their
figures for LaTeX. The sampler and its results are those of 1.0.2.
Pre-releases (v1.1.0-rc.1, ...) come before the release, on GitHub only.
Added
-
«Прогоны» shows the estimate of the run while the sampler works: the
amorphous fraction with its 50% and 90% intervals from all the saves so
far with their posterior weights, how it moved over the saves, the
effective sample size, log(Z) and whether the estimate has settled; and
the background, the amorphous halo, the crystalline peaks and the model,
each a layer that can be hidden, for the posterior mean so far, the best
sample or the last saved one, with their levels among those of the
sampler. It used to show only the last saved sample, which once the
levels are built is usually from a low level and fits the data worse
than the posterior. The estimate is updated every second; when it takes
longer, as on a slow computer or late in a long run, it waits four
times as long as it took, and the plots are redrawn only for a new
estimate. -
«Сравнение»: the options file and the saves of each run, its effective
sample size, log(Z) against the best run of the same data and settings,
and its checks; a run 5 nats or more below the best did not converge
and is unticked. The ticked runs make a joint report (the fraction of
all the seeds together, the spread of their medians, warnings, a line
for a paper) and a figure, in the style ofdoc/figures/xrd_fit.texor
with two panels (doc/figures/xrd_seeds.tex), exported as the tables of
PGFPlots, a folder for LaTeX, PDF and SVG built with the LaTeX
installed, or PNG. «Добавить папку…» adds every archive of a folder. -
«Данные для PGFPlots…» on «Результаты» writes the tables of
export_pgf.pyfor the run. -
doc/figures/xrd_fit.texalso builds SVG:latexanddvisvgm. -
src/amorph_seeds.pypools the seeds of a sample;
export_pgf.write_tableswrites the tables from curves in memory;
src/amorph_tex.pywrites the folders of the figures and builds them. -
«Открыть прогоны…» on «Прогоны» (or a folder chosen on «Сравнение», or
folders dropped on the window) opens runs done earlier or on another
computer from their folders, many at a time: each on «Прогоны» with its
output and its estimate rebuilt from its saves, on «Результаты» and on
«Сравнение». A run without an up-to-date archive is post-processed. -
Explanations in the GUI: a «?» next to each card, figure and group of
settings explains in plain words what it shows, and «Справка» (F1) has
all these explanations on one page; the numbers, the columns of the
tables, the views and the layers have tooltips. The intervals read
"с вероятностью 50% — от … до …" instead of "50% [ , ]", and the
column «Доля [25%, 75%]» of «Сравнение» is «Доля [50% интервал]». -
A splash screen shows as soon as the GUI starts, with the step under way:
the first start of a newly unpacked package can take a minute while the
system checks its files, and without a window the program was started
again and again. The README says so too.
Fixed
- The axes of the plots of the GUI no longer scale numbers with an SI
prefix: the histogram of the fraction read 200-800 "(x0.001)". - The layout of rc.1: an empty table of «Сравнение» squeezed «Архив» and
«Настройки» to a few letters, and its hint was cut off; the table of
«Прогоны» scrolled sideways; the empty plot of the fraction ran from
-0.4 to 0.4. - In rc.1 and rc.2 the plots of «Прогоны» were updated every 5 seconds,
behind a fast sampler, and the chips of the layers were all struck
through, as if hidden.
Build and CI
- A tag v-rc. (or -beta., -alpha.) makes a GitHub
pre-release of the version, with the notes of the version.
AMORPH 1.1.0-rc.2
The graphical interface shows the estimate of a run while the sampler
works, reports several seeds of one sample together and draws their
figures for LaTeX. The sampler and its results are those of 1.0.2.
Pre-releases (v1.1.0-rc.1, ...) come before the release, on GitHub only.
Added
-
«Прогоны» shows the estimate of the run while the sampler works: the
amorphous fraction with its 50% and 90% intervals from all the saves so
far with their posterior weights, how it moved over the saves, the
effective sample size, log(Z) and whether the estimate has settled; and
the background, the amorphous halo, the crystalline peaks and the model,
each a layer that can be hidden, for the posterior mean so far, the best
sample or the last saved one, with their levels among those of the
sampler. It used to show only the last saved sample, which once the
levels are built is usually from a low level and fits the data worse
than the posterior. -
«Сравнение»: the options file and the saves of each run, its effective
sample size, log(Z) against the best run of the same data and settings,
and its checks; a run 5 nats or more below the best did not converge
and is unticked. The ticked runs make a joint report (the fraction of
all the seeds together, the spread of their medians, warnings, a line
for a paper) and a figure, in the style ofdoc/figures/xrd_fit.texor
with two panels (doc/figures/xrd_seeds.tex), exported as the tables of
PGFPlots, a folder for LaTeX, PDF and SVG built with the LaTeX
installed, or PNG. «Добавить папку…» adds every archive of a folder. -
«Данные для PGFPlots…» on «Результаты» writes the tables of
export_pgf.pyfor the run. -
doc/figures/xrd_fit.texalso builds SVG:latexanddvisvgm. -
src/amorph_seeds.pypools the seeds of a sample;
export_pgf.write_tableswrites the tables from curves in memory;
src/amorph_tex.pywrites the folders of the figures and builds them. -
«Открыть прогоны…» on «Прогоны» (or a folder chosen on «Сравнение», or
folders dropped on the window) opens runs done earlier or on another
computer from their folders, many at a time: each on «Прогоны» with its
output and its estimate rebuilt from its saves, on «Результаты» and on
«Сравнение». A run without an up-to-date archive is post-processed. -
A splash screen shows as soon as the GUI starts, with the step under way:
the first start of a newly unpacked package can take a minute while the
system checks its files, and without a window the program was started
again and again. The README says so too.
Fixed
- The axes of the plots of the GUI no longer scale numbers with an SI
prefix: the histogram of the fraction read 200-800 "(x0.001)". - The layout of rc.1: an empty table of «Сравнение» squeezed «Архив» and
«Настройки» to a few letters, and its hint was cut off; the table of
«Прогоны» scrolled sideways; the empty plot of the fraction ran from
-0.4 to 0.4.
Build and CI
- A tag v-rc. (or -beta., -alpha.) makes a GitHub
pre-release of the version, with the notes of the version.
AMORPH 1.1.0-rc.1
The graphical interface shows the estimate of a run while the sampler
works, reports several seeds of one sample together and draws their
figures for LaTeX. The sampler and its results are those of 1.0.2.
Pre-releases (v1.1.0-rc.1, ...) come before the release, on GitHub only.
Added
- «Прогоны» shows the estimate of the run while the sampler works: the
amorphous fraction with its 50% and 90% intervals from all the saves so
far with their posterior weights, how it moved over the saves, the
effective sample size, log(Z) and whether the estimate has settled; and
the background, the amorphous halo, the crystalline peaks and the model,
each a layer that can be hidden, for the posterior mean so far, the best
sample or the last saved one, with their levels among those of the
sampler. It used to show only the last saved sample, which once the
levels are built is usually from a low level and fits the data worse
than the posterior. - «Сравнение»: the options file and the saves of each run, its effective
sample size, log(Z) against the best run of the same data and settings,
and its checks; a run 5 nats or more below the best did not converge
and is unticked. The ticked runs make a joint report (the fraction of
all the seeds together, the spread of their medians, warnings, a line
for a paper) and a figure, in the style ofdoc/figures/xrd_fit.texor
with two panels (doc/figures/xrd_seeds.tex), exported as the tables of
PGFPlots, a folder for LaTeX, PDF and SVG built with the LaTeX
installed, or PNG. «Добавить папку…» adds every archive of a folder. - «Данные для PGFPlots…» on «Результаты» writes the tables of
export_pgf.pyfor the run. doc/figures/xrd_fit.texalso builds SVG:latexanddvisvgm.src/amorph_seeds.pypools the seeds of a sample;
export_pgf.write_tableswrites the tables from curves in memory;
src/amorph_tex.pywrites the folders of the figures and builds them.
Fixed
- The axes of the plots of the GUI no longer scale numbers with an SI
prefix: the histogram of the fraction read 200-800 "(x0.001)".
Build and CI
- A tag v-rc. (or -beta., -alpha.) makes a GitHub
pre-release of the version, with the notes of the version.
AMORPH 1.0.2
The programs are those of 1.0.1, and the sampler and its results those of
1.0.0. This is the first release that is also published on
GitVerse, apart from the GUI
package for Linux, which is larger than GitVerse allows.
Build and CI
- The GitVerse mirror takes its API key from the secret
RELEASE_API_KEY:
GitVerse does not take the nameGITVERSE_API_KEY, so the mirror of
v1.0.1 had no key and failed at the upload. Without the key it now stops
at once instead of after the wait for the GitHub Release (#19).
AMORPH 1.0.1
The sampler and its results are those of 1.0.0. The figure export takes
its data file from config.yaml, and the releases are also published on
GitVerse, from this one on.
Changed
export_pgf.pyreads the data file thatconfig.yamlnames in
data_file, like the sampler, unless--datanames one (--config
names anotherconfig.yaml); it readeasy_data.txt. The title of the
figure is the name of the data file unless--titlegives one; it was
the formula of one alloy.scripts/make_xrd_figure.shdoes the same
withsrc/config.yaml(#17).
Build and CI
- The GitVerse mirror of a release waits up to 20 minutes for the GitHub
Release to be complete, checking every 20 seconds, then downloads each
file once; if the release is not complete by then, it says so and how to
run it again (#16). Files larger than 100 MB, which GitVerse refuses
(the GUI package for Linux), stay on GitHub, and the notes of the
GitVerse Release link to them.
Documentation
AMORPH 1.0.0
The first release, with executables and a graphical interface for Windows,
Linux and macOS. Since the
AMORPH of the paper (Rowe and Brewer, 2018), the fixes of two bugs of the
sampler change the results of every analysis, and those of the
post-processing change some; see "Results change".
The pull requests are those of
github.com/ij3tt/amorph.
Results change
- The Student-t likelihood is normalised: it had
log(nu/2)where
lgamma(nu/2)belongs and compared r² with the variance instead of
ν times the variance, which pushed ν of the noise to the top of its prior
and made the noise Gaussian in practice. Its scale is now
sqrt(sigma0² + sigma1*model), as in the paper; σ₀ and σ₁ came out about
30 times too large (#2). - The outer knots of the background are at the ends of the data. They were
at x = 0, so above the upper control point the background was
extrapolated towards x = 0 and could become negative (#2). - Posterior samples without a wide component count as 0% amorphous.
display.pydropped them, so the fraction came out too high for nearly
crystalline materials, and differed from that ofexport_pgf.py(#3). - The amorphous fraction and the shape of the wide component are integrals
with trapezoidal weights, right on a non-uniform grid too (#9). - The resampling of the post-processing is seeded with
seedof
config.yaml(or 0), so the same run gives the same posterior samples
every time (#9).
Added
- A graphical interface,
src/amorph_gui(PySide6, in Russian): the data
with the range and the background control points dragged on the plot,
every setting ofconfig.yamlwith its checks, runs of several seeds
with their progress and a live plot, the results with the diagnosis and
every figure, and the comparison of run archives (#13). Packaged for
Windows, Linux and macOS with the sampler inside, ready to run without
Python (#15). - A faster sampler, with the same model: each peak is evaluated only within
20 widths of its centre, and the curves are updated by the peaks that
changed instead of computed anew. In the validation it saved 1.6 to 4.3
times as many samples per minute (#14). - Version numbers: AMORPH prints its version in the first line of its
output, and run archives record it. - Checks of
config.yamland of the data file before the sampler starts,
with messages that name the file, the line and the setting, and exit
status 1. A data file may have comments, blank lines, a byte order mark,
CR LF line ends and commas.AMORPH.exestarted by a double click waits
for Enter after an error, so that it can be read. A warning when the
control points lie outside the data (#4). inference_assumptions.narrow_peak_nuinconfig.yaml, the bounds of
the prior on the shape ν of the narrow peaks, andseed(#5).scripts/diagnose_posterior.py: whether the amorphous fraction of a run
is well determined, per band of the fraction;--range LOW HIGHalso
gives the fraction within a range of x (#5, #10).- The report of
showresults.py: log(Z), the information and the effective
sample size, the fraction and the shape of the wide component, the
diagnosis, and 11 figures (#11). - Run archives (
.amorph): the results of a run, its inputs and an HTML
report with the figures in one zip file of a few megabytes, written by
showresults.py;amorph_archive.pywrites, reads and shows them. The
results as data inamorph_results.py, for programs (#11). - Datasets:
G30RAW_amorph.txtandN3RAW_amorph.txt(26–46°), two
samples whose amorphous fraction is ambiguous (#5), and their whole scans,
5–70°, with the parts 20–50° and 15–70° (#10). - README: the shape of the crystalline peaks, the recommended settings, what
the calibration standards show and how to report results (#5–#9), and a
Russian translation,README.ru.md(#8).
Fixed
display.pycrashed with NumPy 2 when a posterior sample had no wide
component (#1).- The post-processing reads the data file by the rules of the sampler; it
stopped at a blank line and failed on a byte order mark or commas (#9). - The histogram of the number of narrow peaks lost the last two counts (#9).
export_pgf.pyreported 0% when no sample had either component; the
fraction is undefined then, and it stops with an error (#9).- A missing or empty data file, a missing key or a wrong type in
config.yamlcrashed AMORPH or ran it without data (#4).
Build and CI
- CMake builds AMORPH with DNest4 and yaml-cpp 0.9.0 vendored in
external/, so the build needs no network access (#1). - CI on GitHub and GitVerse with shared scripts in
scripts/ci/: the Linux
build, the unit tests of the model, the input checks and the Python
post-processing, and a smoke test;AMORPH.execross-compiled with
mingw-w64, without MinGW DLLs, and run on Windows (#1–#4); a macOS build
on Apple Silicon (#11). - On-demand workflows:
validate.ymlcompares two versions of AMORPH on the
bundled datasets (#1, #2),experiment.ymlruns settings on several seeds
in parallel (#5–#7, #10). - Releases:
release.ymlbuilds, tests and packs the three systems on a
pushed tagv*, with SHA-256 checksums, and the GUI packaged with
PyInstaller on each system, whose self-test runs on the package (#15). The Linux executable needs glibc
2.34 and the libstdc++ of GCC 13 or newer, the macOS one macOS 11 or
newer. The actions of the GitHub workflows run on Node 24.