Add renovate.json

Jenkinsfile

@@ -15,7 +15,7 @@ pipeline {
 	environment {
 		POETRY_HOME="/opt/poetry"
 		POETRY_VERSION="1.1.4"
-		//PYPI=credentials("DOES_NOT_EXIST")
+		PYPI=credentials("pypi-pysuperconductor")
 	}
 
 	stages {
@@ -53,7 +53,7 @@ pipeline {
 			}
 			steps {
 				echo 'Deploying...'
-				// sh '${POETRY_HOME}/bin/poetry publish -u ${PYPI_USR} -p ${PYPI_PSW} --build'
+				sh '${POETRY_HOME}/bin/poetry publish -u ${PYPI_USR} -p ${PYPI_PSW} --build'
 			}
 		}
 	}
@@ -63,7 +63,7 @@ pipeline {
 			junit 'pytest.xml'
 			cobertura coberturaReportFile: 'coverage.xml'
 			mail (bcc: '',
-				body: "Project: ${env.JOB_NAME} <br>Build Number: ${env.BUILD_NUMBER} <br> Build URL: ${env.BUILD_URL}", cc: '', charset: 'UTF-8', from: 'jenkins@jenkins.deepak.science', mimeType: 'text/html', replyTo: 'dmallubhotla+jenkins@gmail.com', subject: "CI ${currentBuild.currentResult}: Project name -> ${env.JOB_NAME}", to: "dmallubhotla+ci@gmail.com")
+				body: "Project: ${env.JOB_NAME} <br>Build Number: ${env.BUILD_NUMBER} <br> Build URL: ${env.BUILD_URL}", cc: '', charset: 'UTF-8', from: 'jenkins@jenkins.deepak.science', mimeType: 'text/html', replyTo: 'dmallubhotla+jenkins@gmail.com', subject: "${env.JOB_NAME} #${env.BUILD_NUMBER}: Build ${currentBuild.currentResult}", to: "dmallubhotla+ci@gmail.com")
 		}
 		success {
 			echo 'This will run only if successful'

pyproject.toml

@@ -1,6 +1,6 @@
 [tool.poetry]
 name = "pysuperconductor"
-version = "0.1.0"
+version = "0.1.1"
 description = ""
 authors = ["Deepak <dmallubhotla+github@gmail.com>"]
 

pysuperconductor/os_gap_calc.py

@@ -1,6 +1,11 @@
 import numpy  # type: ignore
 import scipy.integrate as integrate  # type: ignore
 import scipy.optimize  # type: ignore
+import scipy.special  # type: ignore
+import logging
+import warnings
+
+from typing import Tuple
 
 
 def energy(freq: float, delta: float) -> float:
@@ -55,8 +60,8 @@ def n_integrand_function(
 	xi: float, temp: float, delta: float, mu_star: float
 ) -> float:
 	big_e = energy(xi, delta)
-	left = 1 / (1 + numpy.exp((big_e - mu_star) / temp))
-	right = 1 / (1 + numpy.exp(big_e / temp))
+	left = scipy.special.expit((mu_star - big_e) / temp)
+	right = scipy.special.expit(- big_e / temp)
 	return left - right
 
 
@@ -68,3 +73,27 @@ def n_integral(temp: float, delta: float, mu_star: float) -> float:
 	lower = integrate.quad(integrand, 0, intermediate)[0]
 	upper = integrate.quad(integrand, intermediate, numpy.inf)[0]
 	return lower + upper
+
+
+def find_gap_for_n(
+	temp: float,
+	n_bare: float,
+	debye_frequency: float,
+	nv: float
+) -> Tuple[float, float]:
+	n = n_bare * find_gap(0, 0, debye_frequency, nv)
+	nv_inv = 1 / nv
+	with warnings.catch_warnings():
+		warnings.filterwarnings(
+			"ignore",
+			message="Creating an ndarray from ragged nested"
+		)
+		sol = scipy.optimize.root(
+			lambda x: [
+				gap_integral(temp, x[0], x[1], debye_frequency) - nv_inv,
+				n_integral(temp, x[0], x[1]) - n
+			],
+			x0=[debye_frequency / (numpy.sinh(nv_inv)), 0]
+		)
+		logging.debug(sol)
+		return sol.x

renovate.json

@@ -0,0 +1,3 @@
+{
+	"$schema": "https://docs.renovatebot.com/renovate-schema.json"
+}

tests/test_os_gap_calc.py

@@ -67,3 +67,15 @@ def test_n_integral():
 		verbose=True
 	)
 	assert not record
+
+
+def test_find_n_gap():
+	actual = None
+	with pytest.warns(None) as record:
+		actual = pysuperconductor.os_gap_calc.find_gap_for_n(.3, .1, 100, .2)
+	numpy.testing.assert_almost_equal(
+		actual[0], 1.0296692197710933,
+		decimal=7, err_msg="did not find correct delta",
+		verbose=True
+	)
+	assert not record