Merge tag '0.1' into devel

0.1
This commit is contained in:
Sylvain Tricot 2022-03-07 14:42:15 +01:00
commit d5c5073d3c
3 changed files with 8 additions and 4 deletions

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@ -45,7 +45,8 @@ for d in densities:
# compute the corresponding averaged radius (in Bohr units)
rs = ( (1/d) / ((4/3) * np.pi) ) ** (1/3) / a0
# Some output printing
print("Computing {} for RS={}".format(plot_type, rs))
stem = 'plas_disp'
print("Computing {} for RS={}".format(stem, rs))
# Here is the actual call to calculate
data = compute(N_Q=100, RS=rs, T=T)
# 'data' is a dict, each key is the name of an output file (without extansion).
@ -53,7 +54,7 @@ for d in densities:
# the number of points chosen and on the kind of output file.
# Reading data
X, Y = data['plas_disp'].T
X, Y = data[stem].T
# Plotting
plt.plot(X, Y, label=r'density={:.2e} $e/cm^3$'.format(d))

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@ -280,7 +280,7 @@ pypkg: python/dist/$(PYTHON_PKG_NAME)-$(VERSION).tar.gz
required_python_packages:
@$(PIP) install numpy click-man
@$(PIP) install numpy matplotlib click-man
python/VERSION:

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@ -21,4 +21,7 @@
# Committed by : Sylvain Tricot <sylvain.tricot@univ-rennes1.fr> 1645806435 +0100
from msspec_dfm.version import __version__
from msspec_dfm.compute import compute
try:
from msspec_dfm.compute import compute
except ModuleNotFoundError as err:
pass