Introduced 1-indexing in Julia, updating documentation and usage exam…

…ples

docs/documentation/operators/op.md

@@ -50,6 +50,10 @@ A local operator acting on several lattice sites.
 | coupling | sets the coefficients neded to specify the coupling. Further details below | |
 | sites | defines on which site(s) of the lattice the operator acts on. | |
 
+!!! warning "1-indexing in Julia / 0-indexing in C++"
+
+ To enumerate the sites of an Op, we start counting at 1 in Julia and 0 in C++.
+
 The coupling can take on several types and allow some flexibility in defining operators.
 
 | type | Description | |

docs/documentation/symmetries/permutation.md

@@ -19,6 +19,10 @@ Creates an Permutation out of an array of integers, e.g. `[0, 2, 1, 3]`. If the
  ```c++
  Permutation(std::vector<int64_t> const &array);
  ```
+
+!!! warning "1-indexing in Julia / 0-indexing in C++"
+
+ To enumerate the sites of a Permutation, we start counting at 1 in Julia and 0 in C++.
 
 ## Methods
 

docs/releases.md

@@ -2,6 +2,17 @@
 title: Releases
 ---
 
+## v0.2.3
+
+**Sep. 9, 2024**
+
+Introduced 1-indexing everywhere in Julia version
+
+* only changes to XDiag.jl, C++ untouched
+* XDiag_jll.jl remains at v0.2.2
+
+---
+
 ## v0.2.2
 
 **Aug. 27, 2024**

examples/spectrum/spinhalf_chain_e0/main.jl

@@ -1,21 +1,21 @@
 using XDiag
 
 let 
- N = 16;
- nup = N ÷ 2;
- block = Spinhalf(N, nup);
+ N = 16
+ nup = N ÷ 2
+ block = Spinhalf(N, nup)
 
  # Define the nearest-neighbor Heisenberg model
  ops = OpSum()
  for i in 1:N
  ops += Op("HB", "J", [i-1, i % N])
  end
- ops["J"] = 1.0;
+ ops["J"] = 1.0
 
- # set_verbosity(2);  # set verbosity for monitoring progress
- e0 = eigval0(ops, block); # compute ground state energy
+ set_verbosity(2) # set verbosity for monitoring progress
+ e0 = eigval0(ops, block)  # compute ground state energy
 
- println("Ground state energy: $e0");
+ println("Ground state energy: $e0")
 end
 
 

examples/usage_examples/main.cpp

@@ -216,7 +216,7 @@ auto [e0, gs] = eig0(ops, block);
 
 {
 // --8<-- [start:op]
-auto op = Op("HOP", "T", {1, 2});
+auto op = Op("HOP", "T", {0, 1});
 XDIAG_SHOW(op);
 XDIAG_SHOW(op.type());
 XDIAG_SHOW(op.coupling().as<std::string>());
@@ -225,14 +225,14 @@ XDIAG_SHOW(op[0]);
 XDIAG_SHOW(op[1]);
 XDIAG_SHOW(op.isexplicit());
 
- op = Op("HOP", 1.23, {1, 2});
+ op = Op("HOP", 1.23, {0, 1});
 XDIAG_SHOW(op);
 XDIAG_SHOW(op.isreal());
 XDIAG_SHOW(op.ismatrix());
 XDIAG_SHOW(op.isexplicit());
 
 arma::cx_mat m(arma::mat("0 0; 0 0"), arma::mat("0 -1; 1 0"));
-op = Op("SY", m, 1);
+op = Op("SY", m, 0);
 XDIAG_SHOW(op);
 XDIAG_SHOW(op.isreal());
 XDIAG_SHOW(op.ismatrix());

examples/usage_examples/main.jl

@@ -1,18 +1,18 @@
 using XDiag
 
 # --8<-- [start:Permutation]
-p1 = Permutation([0, 2, 1, 3])
-p2 = Permutation([2, 0, 1, 3])
+p1 = Permutation([1, 3, 2, 4])
+p2 = Permutation([3, 1, 2, 4])
 
 @show inverse(p1)
 @show p1 * p2
 # --8<-- [end:Permutation]
 
 # --8<-- [start:PermutationGroup]
 # Define a cyclic group of order 3
-p1 = Permutation([0, 1, 2])
-p2 = Permutation([1, 2, 0])
-p3 = Permutation([2, 0, 1])
+p1 = Permutation([1, 2, 3])
+p2 = Permutation([2, 3, 1])
+p3 = Permutation([3, 1, 2])
 C3 = PermutationGroup([p1, p2, p3])
 
 @show size(C3)
@@ -42,10 +42,10 @@ block_sz = Spinhalf(N, nup)
 @show block_sz
 
 # with symmetries, without Sz
-p1 = Permutation([0, 1, 2, 3])
-p2 = Permutation([1, 2, 3, 0])
-p3 = Permutation([2, 3, 0, 1])
-p4 = Permutation([3, 0, 1, 2])
+p1 = Permutation([1, 2, 3, 4])
+p2 = Permutation([2, 3, 4, 1])
+p3 = Permutation([3, 4, 1, 2])
+p4 = Permutation([4, 1, 2, 3])
 group = PermutationGroup([p1, p2, p3, p4])
 rep = Representation([1, -1, 1, -1])
 block_sym = Spinhalf(N, group, rep)
@@ -76,10 +76,10 @@ block = tJ(N, nup, ndn)
 @show block
 
 # with permutation symmetries
-p1 = Permutation([0, 1, 2, 3])
-p2 = Permutation([1, 2, 3, 0])
-p3 = Permutation([2, 3, 0, 1])
-p4 = Permutation([3, 0, 1, 2])
+p1 = Permutation([1, 2, 3, 4])
+p2 = Permutation([2, 3, 4, 1])
+p3 = Permutation([3, 4, 1, 2])
+p4 = Permutation([4, 1, 2, 3])
 group = PermutationGroup([p1, p2, p3, p4])
 rep = Representation([1, -1, 1, -1])
 block_sym = tJ(N, nup, ndn, group, rep)
@@ -111,10 +111,10 @@ block_np = Electron(N, nup, ndn)
 @show block_np
 
 # with symmetries, without number conservation
-p1 = Permutation([0, 1, 2, 3])
-p2 = Permutation([1, 2, 3, 0])
-p3 = Permutation([2, 3, 0, 1])
-p4 = Permutation([3, 0, 1, 2])
+p1 = Permutation([1, 2, 3, 4])
+p2 = Permutation([2, 3, 4, 1])
+p3 = Permutation([3, 4, 1, 2])
+p4 = Permutation([4, 1, 2, 3])
 group = PermutationGroup([p1, p2, p3, p4])
 rep = Representation([1, -1, 1, -1])
 block_sym = Electron(N, group, rep)
@@ -146,16 +146,16 @@ let
  # Define a Hubbard chain model
  ops = OpSum()
  for i in 1:N
- ops += Op("HOP", "T", [i-1, i % N])
+ ops += Op("HOP", "T", [i, mod1(i+1, N)])
  end
  ops["T"] = 1.0;
  ops["U"] = 5.0;
 
  # Create the a permutation group
- p1 = Permutation([0, 1, 2, 3])
- p2 = Permutation([1, 2, 3, 0])
- p3 = Permutation([2, 3, 0, 1])
- p4 = Permutation([3, 0, 1, 2])
+ p1 = Permutation([1, 2, 3, 4])
+ p2 = Permutation([2, 3, 4, 1])
+ p3 = Permutation([3, 4, 1, 2])
+ p4 = Permutation([4, 1, 2, 3])
  group = PermutationGroup([p1, p2, p3, p4])
  irrep = Representation([1, -1, 1, -1])
  block = Electron(N, nup, ndn, group, irrep)
@@ -174,7 +174,7 @@ let
  # Define the nearest-neighbor Heisenberg model
  ops = OpSum()
  for i in 1:N
- ops += Op("HB", "J", [i-1, i % N])
+ ops += Op("HB", "J", [i, mod1(i+1, N)])
  end
  ops["J"] = 1.0
 
@@ -191,7 +191,7 @@ let
  # Define the nearest-neighbor Heisenberg model
  ops = OpSum()
  for i in 1:N
- ops += Op("HB", "J", [i-1, i % N])
+ ops += Op("HB", "J", [i, mod1(i+1, N)])
  end
  ops["J"] = 1.0;
 
@@ -233,8 +233,8 @@ let
 
  ops = OpSum()
  for i in 1:N
- ops += Op("ISING", "J", [i-1, i % N])
- ops += Op("SX", h * Sx, i-1)
+ ops += Op("ISING", "J", [i, mod1(i+1, N)])
+ ops += Op("SX", h * Sx, i)
  end
 
  ops["J"] = 1.0;
@@ -350,7 +350,7 @@ let
  block = Spinhalf(N, N ÷ 2)
  ops = OpSum()
  for i in 1:N
- ops += Op("HB", 1.0, [i-1, i % N])
+ ops += Op("HB", 1.0, [i, mod1(i+1, N)])
  end
  e0, psi = eig0(ops, block);
 
@@ -375,7 +375,7 @@ let
  block = Spinhalf(N, N ÷ 2)
  ops = OpSum()
  for i in 1:N
- ops += Op("HB", 1.0, [i-1, i % N])
+ ops += Op("HB", 1.0, [i, mod1(i+1, N)])
  end
  e0, psi = eig0(ops, block);
 
@@ -392,23 +392,23 @@ let
  N = 4
  nup = 2
  block = Spinhalf(N, nup)
- p1 = Permutation([0, 1, 2, 3])
- p2 = Permutation([1, 2, 3, 0])
- p3 = Permutation([2, 3, 0, 1])
- p4 = Permutation([3, 0, 1, 2])
+ p1 = Permutation([1, 2, 3, 4])
+ p2 = Permutation([2, 3, 4, 1])
+ p3 = Permutation([3, 4, 1, 2])
+ p4 = Permutation([4, 1, 2, 3])
  group = PermutationGroup([p1, p2, p3, p4])
  rep = Representation([1, 1, 1, 1])
  block_sym = Spinhalf(N, group, rep)
 
  ops = OpSum()
  for i in 1:N
- ops += Op("HB", 1.0, [i-1, i % N])
+ ops += Op("HB", 1.0, [i, mod1(i+1, N)])
  end
 
  e0, psi = eig0(ops, block);
  e0, psi_sym = eig0(ops, block_sym);
 
- corr = Op("HB", 1.0, [0, 1])
+ corr = Op("HB", 1.0, [1, 2])
  nn_corr = inner(corr, psi)
  corr_sym = symmetrize(corr, group)
  nn_corr_sym = inner(corr_sym, psi_sym)