Development has been updated

Merge remote-tracking branch 'origin/development' into TrapCharge_2Dsheet_Sims

.github/workflows/codespell-ignore.txt

@@ -1,2 +1,3 @@
 thi
 PTD
+ANS

.gitignore

@@ -5,5 +5,11 @@ Exec/*
 *tmp_build_dir/
 *.png
 *.swp
+*.eps
+Backtrace.*
+*.ipynb_checkpoints
 perlscripts/
 input_local/
+Analysis/*
+Unused_code/*
+Source_old/

Exec/GNUmakefile

@@ -3,7 +3,7 @@ AMREX_HOME  ?= ../../amrex
 DEBUG        = FALSE
 USE_MPI      = TRUE
 USE_OMP      = FALSE
-USE_CUDA     = FALSE
+USE_CUDA     = TRUE
 USE_HYPRE    = FALSE
 COMP         = gnu
 DIM          = 3

input/negf/long20CNTs/anglesVaried → input/negf/planarCNTFETs_nonidealities/longCNTs/anglesVaried

@@ -1,10 +1,10 @@
-################
-# Test case for validation of periodic boundary conditions -- infinite array of nanotubes.
-# The output of conductance can be compared with the result from the following reference,
-# Fig. 2), periodicity distance, d=3.195 nm == 3.2 nm. (see width_factor defined below).
-# Léonard, F. (2006). Crosstalk between nanotube devices: contact and channel effects. 
-# Nanotechnology, 17(9), 2381.
-################
+###############
+# Description:
+# This test case models planar CNTFET simulation with 20 CNTs (100 nm long)
+# and with variations in the spacing between adjacent CNTs.
+#
+# It can be used to produce Fig 5a,5b,5c in the ELEQTRONeX paper.
+################ 
 
 ################
 ##### FLAGS ####

input/negf/long20CNTs/periodic → input/negf/planarCNTFETs_nonidealities/longCNTs/periodic

@@ -1,10 +1,9 @@
-################
-# Test case for validation of periodic boundary conditions -- infinite array of nanotubes.
-# The output of conductance can be compared with the result from the following reference,
-# Fig. 2), periodicity distance, d=3.195 nm == 3.2 nm. (see width_factor defined below).
-# Léonard, F. (2006). Crosstalk between nanotube devices: contact and channel effects. 
-# Nanotechnology, 17(9), 2381.
-################
+###############
+# Description:
+# This test case models planar CNTFET simulation with 1 CNT (100 nm long)
+# and with periodic boundary conditions.
+# It can be used to produce the periodic curve in Fig 5a and 5b.
+################ 
 
 ################
 ##### FLAGS ####

input/negf/long20CNTs/spacingVaried → input/negf/planarCNTFETs_nonidealities/longCNTs/spacingVaried

@@ -1,10 +1,10 @@
-################
-# Test case for validation of periodic boundary conditions -- infinite array of nanotubes.
-# The output of conductance can be compared with the result from the following reference,
-# Fig. 2), periodicity distance, d=3.195 nm == 3.2 nm. (see width_factor defined below).
-# Léonard, F. (2006). Crosstalk between nanotube devices: contact and channel effects. 
-# Nanotechnology, 17(9), 2381.
-################
+###############
+# Description:
+# This test case models planar CNTFET simulation with 20 CNTs (100 nm long)
+# and with variations in the spacing between adjacent CNTs.
+#
+# It can be used to produce Fig 5d,5e,5f in the ELEQTRONeX paper.
+################ 
 
 ################
 ##### FLAGS ####

input/negf/shortCNTs/1x_spacing/nonparallel_20CNTs_largeAngles → input/negf/planarCNTFETs_nonidealities/shortCNTs/1x_spacing/nonparallel_20CNTs_largeAngles

@@ -1,10 +1,15 @@
-################
-# Test case for validation of periodic boundary conditions -- infinite array of nanotubes.
-# The output of conductance can be compared with the result from the following reference,
-# Fig. 2), periodicity distance, d=3.195 nm == 3.2 nm. (see width_factor defined below).
+###############
+# Description:
+# This test case models planar CNTFET simulation with 20 CNTs with 
+# large angular variations. Setup is the same as in the reference 
+# below with distance between CNTs of ~3.2 nm.
+#
+# It can be used to verify that it would produce results similar to 
+# 5 CNTs with angular variations.
+#
 # Léonard, F. (2006). Crosstalk between nanotube devices: contact and channel effects. 
 # Nanotechnology, 17(9), 2381.
-################
+################ 
 
 ################
 ##### FLAGS ####

input/negf/shortCNTs/1x_spacing/nonparallel_5CNTs_largeAngles → input/negf/planarCNTFETs_nonidealities/shortCNTs/1x_spacing/nonparallel_5CNTs_largeAngles

@@ -1,10 +1,14 @@
-################
-# Test case for validation of periodic boundary conditions -- infinite array of nanotubes.
-# The output of conductance can be compared with the result from the following reference,
-# Fig. 2), periodicity distance, d=3.195 nm == 3.2 nm. (see width_factor defined below).
+###############
+# Description:
+# This test case models planar CNTFET simulation with 5 CNTs
+# with angular variations. Setup is the same as in the reference 
+# below with distance between CNTs of ~3.2 nm. 
+#
+# It can be used to produce Fig 4a (5 CNTs with angular variation) in the ELEQTRONeX paper.
+#
 # Léonard, F. (2006). Crosstalk between nanotube devices: contact and channel effects. 
 # Nanotechnology, 17(9), 2381.
-################
+################ 
 
 ################
 ##### FLAGS ####

input/negf/shortCNTs/1x_spacing/nonparallel_5CNTs_smallAngles → input/negf/planarCNTFETs_nonidealities/shortCNTs/1x_spacing/nonparallel_5CNTs_smallAngles

@@ -1,10 +1,15 @@
-################
-# Test case for validation of periodic boundary conditions -- infinite array of nanotubes.
-# The output of conductance can be compared with the result from the following reference,
-# Fig. 2), periodicity distance, d=3.195 nm == 3.2 nm. (see width_factor defined below).
+###############
+# Description:
+# This test case models planar CNTFET simulation with 5 CNTs
+# and small variations in angles. Setup is the same as in the 
+# reference below with distance between CNTs of ~3.2 nm.
+#
+# It can be used to verify that with small variations in angles
+# we obtain the same result as the parallel CNTs case.
+#
 # Léonard, F. (2006). Crosstalk between nanotube devices: contact and channel effects. 
 # Nanotechnology, 17(9), 2381.
-################
+################ 
 
 ################
 ##### FLAGS ####

input/negf/shortCNTs/1x_spacing/parallel_5CNTs → input/negf/planarCNTFETs_nonidealities/shortCNTs/1x_spacing/parallel_5CNTs

@@ -1,10 +1,14 @@
-################
-# Test case for validation of periodic boundary conditions -- infinite array of nanotubes.
-# The output of conductance can be compared with the result from the following reference,
-# Fig. 2), periodicity distance, d=3.195 nm == 3.2 nm. (see width_factor defined below).
+###############
+# Description:
+# This test case models planar CNTFET simulation with 5 parallel CNTs.
+# Setup is the same as in the reference below with distance
+# between CNTs of ~3.2 nm.
+#
+# It can be used to produce Fig 4a (5 CNTs parallel) in the ELEQTRONeX paper.
+#
 # Léonard, F. (2006). Crosstalk between nanotube devices: contact and channel effects. 
 # Nanotechnology, 17(9), 2381.
-################
+################ 
 
 ################
 ##### FLAGS ####

input/negf/shortCNTs/1x_spacing/periodic → input/negf/planarCNTFETs_nonidealities/shortCNTs/1x_spacing/periodic

@@ -1,10 +1,17 @@
-################
-# Test case for validation of periodic boundary conditions -- infinite array of nanotubes.
-# The output of conductance can be compared with the result from the following reference,
-# Fig. 2), periodicity distance, d=3.195 nm == 3.2 nm. (see width_factor defined below).
-# Léonard, F. (2006). Crosstalk between nanotube devices: contact and channel effects. 
-# Nanotechnology, 17(9), 2381.
-################
+###############################################################
+# Description:
+# This script models planar CNTFET with periodic boundary 
+# conditions as described in the Ref. below It can be used 
+# to reproduce Fig. 2d in the ELEQTRONeX paper. 
+# The output conductance can be compared with the reference 
+# below for periodicity distance d = 3.195 nm ≈ 3.2 nm 
+# (see `width_factor` defined below).
+#
+# Reference:
+# Léonard, F. (2006). Crosstalk between nanotube devices: 
+# contact and channel effects. Nanotechnology, 17(9), 2381.
+# DOI: 10.1088/0957-4484/17/9/029
+###############################################################
 
 ################
 ##### FLAGS ####

input/negf/shortCNTs/4x_spacing/nonparallel_20CNTs_largeAngles_diagnostics → input/negf/planarCNTFETs_nonidealities/shortCNTs/4x_spacing/nonparallel_20CNTs_largeAngles

@@ -1,10 +1,15 @@
-################
-# Test case for validation of periodic boundary conditions -- infinite array of nanotubes.
-# The output of conductance can be compared with the result from the following reference,
-# Fig. 2), periodicity distance, d=3.195 nm == 3.2 nm. (see width_factor defined below).
+###############
+# Description:
+# This test case models planar CNTFET simulation with 20 CNTs.
+# Setup is the same as in the reference below with distance
+# between CNTs of 12.8 nm. CNTs are misaligned.
+#
+# It can be used to produce Fig 4c (20CNTs curve) and Fig. 4d 
+# in the ELEQTRONeX paper.
+#
 # Léonard, F. (2006). Crosstalk between nanotube devices: contact and channel effects. 
 # Nanotechnology, 17(9), 2381.
-################
+################ 
 
 ################
 ##### FLAGS ####

input/negf/shortCNTs/4x_spacing/parallel_5CNTs_diag → input/negf/planarCNTFETs_nonidealities/shortCNTs/4x_spacing/parallel_5CNTs

@@ -1,7 +1,11 @@
-################
-# Test case for validation of periodic boundary conditions -- infinite array of nanotubes.
-# The output of conductance can be compared with the result from the following reference,
-# Fig. 2), periodicity distance, d=3.195 nm == 3.2 nm. (see width_factor defined below).
+###############
+# Description:
+# This test case models planar CNTFET simulation with 5 CNTs.
+# Setup is the same as in the reference below with distance
+# between CNTs of 12.8 nm.
+#
+# It can be used to produce Fig 4c (5 CNT curve) in the ELEQTRONeX paper.
+#
 # Léonard, F. (2006). Crosstalk between nanotube devices: contact and channel effects. 
 # Nanotechnology, 17(9), 2381.
 ################

input/negf/shortCNTs/4x_spacing/periodic → input/negf/planarCNTFETs_nonidealities/shortCNTs/4x_spacing/periodic

@@ -1,10 +1,14 @@
-################
-# Test case for validation of periodic boundary conditions -- infinite array of nanotubes.
-# The output of conductance can be compared with the result from the following reference,
-# Fig. 2), periodicity distance, d=3.195 nm == 3.2 nm. (see width_factor defined below).
+###############
+# Description:
+# This test case models planar CNTFET simulation with 5 CNTs.
+# Setup is the same as in the reference below with distance
+# between CNTs of 12.8 nm.
+#
+# It can be used to produce Fig 4c (periodic curve) in the ELEQTRONeX paper.
+#
 # Léonard, F. (2006). Crosstalk between nanotube devices: contact and channel effects. 
 # Nanotechnology, 17(9), 2381.
-################
+################ 
 
 ################
 ##### FLAGS ####