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3 changes: 3 additions & 0 deletions .gitignore
Original file line number Diff line number Diff line change
Expand Up @@ -6,6 +6,9 @@ CMakeCache.txt
cmake_install.cmake
compile_commands.json

# Lattice files the tutorials tell the reader to generate with build_lattice.py
tutorials/dmrg-*/my_lattice.xml

# Editors and operating systems
.idea/
.vscode/
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35 changes: 0 additions & 35 deletions tutorials/dmrg-03-ground-state-energies/my_lattice.xml

This file was deleted.

2 changes: 1 addition & 1 deletion tutorials/dmrg-03-ground-state-energies/spin_one
Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,7 @@ LATTICE="open chain lattice with special edges"
MODEL="spin"
local_S0=0.5
local_S1=1
CONSERVED_QUANTUMNUMBERS="Sz"
CONSERVED_QUANTUMNUMBERS="N,Sz"
Sz_total=0
J=1
SWEEPS=4
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2 changes: 1 addition & 1 deletion tutorials/dmrg-03-ground-state-energies/spin_one_half
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
LATTICE="open chain lattice"
SWEEPS=4
CONSERVED_QUANTUMNUMBERS="Sz"
CONSERVED_QUANTUMNUMBERS="N,Sz"
MODEL="spin", Sz_total=0
J=1
NUMBER_EIGENVALUES=1
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Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
LATTICE="open chain lattice"
SWEEPS=4
CONSERVED_QUANTUMNUMBERS="Sz"
CONSERVED_QUANTUMNUMBERS="N,Sz"
MODEL="spin", Sz_total=0
J=1
NUMBER_EIGENVALUES=1
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2 changes: 1 addition & 1 deletion tutorials/dmrg-03-ground-state-energies/spin_one_multiple
Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,7 @@ LATTICE="open chain lattice with special edges 32"
MODEL="spin"
local_S0=0.5
local_S1=1
CONSERVED_QUANTUMNUMBERS="Sz"
CONSERVED_QUANTUMNUMBERS="N,Sz"
Sz_total=0
J=1
NUMBER_EIGENVALUES=1
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2 changes: 1 addition & 1 deletion tutorials/dmrg-04-gaps/spin_one_gap.py
Original file line number Diff line number Diff line change
Expand Up @@ -19,7 +19,7 @@
'LATTICE' : "open chain lattice",
'MODEL' : "spin",
'local_S' : '1',
'CONSERVED_QUANTUMNUMBERS' : 'Sz',
'CONSERVED_QUANTUMNUMBERS' : 'N,Sz',
'Sz_total' : 0,
'J' : 1,
'SWEEPS' : 5,
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2 changes: 1 addition & 1 deletion tutorials/dmrg-04-gaps/spin_one_gap_multiple.py
Original file line number Diff line number Diff line change
Expand Up @@ -24,7 +24,7 @@
'LATTICE' : "open chain lattice",
'MODEL' : "spin",
'local_S' : '1',
'CONSERVED_QUANTUMNUMBERS' : 'Sz',
'CONSERVED_QUANTUMNUMBERS' : 'N,Sz',
'Sz_total' : 0,
'J' : 1,
'SWEEPS' : 5,
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2 changes: 1 addition & 1 deletion tutorials/dmrg-04-gaps/spin_one_half_gap
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
LATTICE="open chain lattice"
MODEL="spin"
CONSERVED_QUANTUMNUMBERS="Sz"
CONSERVED_QUANTUMNUMBERS="N,Sz"
Sz_total=0
J=1
SWEEPS=4
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2 changes: 1 addition & 1 deletion tutorials/dmrg-04-gaps/spin_one_half_gap_multiple.py
Original file line number Diff line number Diff line change
Expand Up @@ -23,7 +23,7 @@
parms.append({
'LATTICE' : "open chain lattice",
'MODEL' : "spin",
'CONSERVED_QUANTUMNUMBERS' : 'Sz',
'CONSERVED_QUANTUMNUMBERS' : 'N,Sz',
'Sz_total' : 0,
'J' : 1,
'SWEEPS' : 4,
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2 changes: 1 addition & 1 deletion tutorials/dmrg-04-gaps/spin_one_half_multiple
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
LATTICE="open chain lattice"
SWEEPS=4
CONSERVED_QUANTUMNUMBERS="Sz"
CONSERVED_QUANTUMNUMBERS="N,Sz"
MODEL="spin", Sz_total=0
J=1
NUMBER_EIGENVALUES=1
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2 changes: 1 addition & 1 deletion tutorials/dmrg-04-gaps/spin_one_half_triplet
Original file line number Diff line number Diff line change
@@ -1,6 +1,6 @@
LATTICE="open chain lattice"
MODEL="spin"
CONSERVED_QUANTUMNUMBERS="Sz"
CONSERVED_QUANTUMNUMBERS="N,Sz"
Sz_total=1
SWEEPS=4
J=1
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2 changes: 1 addition & 1 deletion tutorials/dmrg-05-local-observables/spin_one
Original file line number Diff line number Diff line change
Expand Up @@ -3,7 +3,7 @@ LATTICE="open chain lattice with special edges 32"
MODEL="spin"
local_S0=0.5
local_S1=1
CONSERVED_QUANTUMNUMBERS="Sz"
CONSERVED_QUANTUMNUMBERS="N,Sz"
J=1
NUMBER_EIGENVALUES=1
SWEEPS=4
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2 changes: 1 addition & 1 deletion tutorials/ed-01-sparsediag/tutorial1a.py
Original file line number Diff line number Diff line change
Expand Up @@ -22,7 +22,7 @@
'L' : 4,
'CONSERVED_QUANTUMNUMBERS' : 'Sz',
'MEASURE_STRUCTURE_FACTOR[Structure Factor S]' : 'Sz',
'MEASURE_CORRELATIONS[Diagonal spin correlations]=' : 'Sz',
'MEASURE_CORRELATIONS[Diagonal spin correlations]' : 'Sz',
'MEASURE_CORRELATIONS[Offdiagonal spin correlations]' : 'Splus:Sminus'
}]

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4 changes: 4 additions & 0 deletions tutorials/ed-02-gaps/parm2a
Original file line number Diff line number Diff line change
Expand Up @@ -8,8 +8,12 @@ Sz_total=0
{L=6}
{L=8}
{L=10}
{L=12}
{L=14}
Sz_total=1
{L=4}
{L=6}
{L=8}
{L=10}
{L=12}
{L=14}
4 changes: 4 additions & 0 deletions tutorials/ed-02-gaps/parm2b
Original file line number Diff line number Diff line change
Expand Up @@ -8,8 +8,12 @@ Sz_total=0
{L=6}
{L=8}
{L=10}
{L=12}
{L=14}
Sz_total=1
{L=4}
{L=6}
{L=8}
{L=10}
{L=12}
{L=14}
2 changes: 1 addition & 1 deletion tutorials/ed-05-nnn-chain/parm_nnn-heisenberg
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
LATTICE = "chain lattice"
LATTICE = "nnn chain lattice"
MODEL = "spin"
local_S = 0.5
J = 1
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2 changes: 1 addition & 1 deletion tutorials/ed-05-nnn-chain/parm_nnn-pt
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
LATTICE = "chain lattice"
LATTICE = "nnn chain lattice"
MODEL = "spin"
local_S = 0.5
J = 1
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5 changes: 2 additions & 3 deletions tutorials/mc-02-susceptibilities/parm2a
Original file line number Diff line number Diff line change
@@ -1,8 +1,8 @@
LATTICE="chain lattice"
L=60
J=-1
THERMALIZATION=15000
SWEEPS=150000
THERMALIZATION=10000
SWEEPS=500000
UPDATE="cluster"
MODEL="Heisenberg"
{T=0.05;}
Expand All @@ -13,7 +13,6 @@ MODEL="Heisenberg"
{T=0.5;}
{T=0.6;}
{T=0.7;}
SWEEPS=500000
{T=0.8;}
{T=0.9;}
{T=1.0;}
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5 changes: 2 additions & 3 deletions tutorials/mc-02-susceptibilities/parm2b
Original file line number Diff line number Diff line change
Expand Up @@ -2,8 +2,8 @@ LATTICE="ladder"
L=60
J0=-1
J1=-1
THERMALIZATION=15000
SWEEPS=150000
THERMALIZATION=10000
SWEEPS=500000
UPDATE="cluster"
MODEL="Heisenberg"
{T=0.05;}
Expand All @@ -13,7 +13,6 @@ MODEL="Heisenberg"
{T=0.4;}
{T=0.5;}
{T=0.6;}
SWEEPS=500000
{T=0.7;}
{T=0.8;}
{T=0.9;}
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1 change: 0 additions & 1 deletion tutorials/mc-03-magnetization/parm3a
Original file line number Diff line number Diff line change
Expand Up @@ -17,7 +17,6 @@ SWEEPS=10000
{h=0.8;}
{h=0.9;}
{h=1.0;}
SWEEPS=10000;
{h=1.2;}
{h=1.4;}
{h=1.6;}
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1 change: 0 additions & 1 deletion tutorials/mc-03-magnetization/parm3b
Original file line number Diff line number Diff line change
Expand Up @@ -17,7 +17,6 @@ SWEEPS=10000
{h=0.8;}
{h=1.0;}
{h=1.25;}
SWEEPS=5000
{h=1.5;}
{h=1.75;}
{h=2.0;}
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3 changes: 1 addition & 2 deletions tutorials/mc-04-measurements/parm4
Original file line number Diff line number Diff line change
@@ -1,13 +1,12 @@
MODEL="spin";
LATTICE="square lattice";
REPRESENTATION="SSE";
local_S=1/2;
MEASURE[Correlations]=true;
MEASURE[Structure Factor]=true;
MEASURE[Green Function]=true;
THERMALIZATION=10000;
SWEEPS=500000;
J=1;
L=4;
W=4;
T=0.3;
{h=0.1;}
5 changes: 1 addition & 4 deletions tutorials/mc-06-qwl/parm6a
Original file line number Diff line number Diff line change
Expand Up @@ -2,9 +2,6 @@ LATTICE="chain lattice"
MODEL="spin"
local_S=1/2
L=40
T_MIN = 0.1
T_MAX = 10.0
DELTA_T = 0.1
CUTOFF = 500
CUTOFF = 1000
{J = -1}

8 changes: 2 additions & 6 deletions tutorials/mc-06-qwl/parm6d
Original file line number Diff line number Diff line change
@@ -1,11 +1,7 @@
LATTICE="simple cubic lattice"
MODEL="spin"
local_S=1/2
T=0.946
J=1
T_MIN = 0.5
T_MAX = 5.0
DELTA_T = 0.05
CUTOFF = 1000
{L = 6}
{L = 4; CUTOFF = 500}
{L = 6; CUTOFF = 1000}

2 changes: 1 addition & 1 deletion tutorials/mc-07-phase-transition/parm7a
Original file line number Diff line number Diff line change
Expand Up @@ -67,9 +67,9 @@ SWEEPS=400000
{ T=3.0; }
{ T=2.9; }
{ T=2.8; }
{ T=2.7; }

SWEEPS=40000
{ T=2.7; }
{ T=2.6; }
{ T=2.5; }
{ T=2.4; }
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19 changes: 5 additions & 14 deletions tutorials/mc-07-phase-transition/parm7b
Original file line number Diff line number Diff line change
Expand Up @@ -2,12 +2,11 @@ LATTICE="square lattice"
T=2.269186
J=1
THERMALIZATION=5000
SWEEPS=60000
SWEEPS=150000
UPDATE="cluster"
MODEL="Ising"

L=32
SWEEPS=120000
{T=2.24;}
{T=2.25;}
{T=2.26;}
Expand All @@ -22,9 +21,6 @@ SWEEPS=120000
{T=2.35;}

L=48
SWEEPS=200000


{T=2.24;}
{T=2.25;}
{T=2.26;}
Expand All @@ -35,11 +31,10 @@ SWEEPS=200000
{T=2.31;}
{T=2.32;}
{T=2.33;}

{T=2.34;}
{T=2.35;}

L=64
SWEEPS=200000

{T=2.24;}
{T=2.25;}
{T=2.26;}
Expand All @@ -50,9 +45,5 @@ SWEEPS=200000
{T=2.31;}
{T=2.32;}
{T=2.33;}






{T=2.34;}
{T=2.35;}
2 changes: 1 addition & 1 deletion tutorials/mc-08-quantum-phase-transition/tutorial8b.py
Original file line number Diff line number Diff line change
Expand Up @@ -34,7 +34,7 @@
'SWEEPS' : 50000,
'MODEL' : "spin",
'L' : l,
'W' : l/2
'W' : l//2
}
)

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2 changes: 1 addition & 1 deletion tutorials/mc-08-quantum-phase-transition/tutorial8c.py
Original file line number Diff line number Diff line change
Expand Up @@ -34,7 +34,7 @@
'SWEEPS' : 50000,
'MODEL' : "spin",
'L' : l,
'W' : l/2
'W' : l//2
}
)

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21 changes: 13 additions & 8 deletions tutorials/mc-08-quantum-phase-transition/tutorial8d.py
Original file line number Diff line number Diff line change
Expand Up @@ -18,26 +18,31 @@

#prepare the input parameters
parms = []
for l in [8,10,12,16]:
for j2 in [1.8,1.85,1.9,1.95,2.,2.05,2.1]:
for l in [16,32,64,128]:
# the two largest sizes only scan the immediate neighbourhood of the crossing
if l <= 32:
j2list = [0.31,0.311,0.312,0.313,0.314,0.315,0.316,0.317,0.318,0.319,0.32]
else:
j2list = [0.312,0.313,0.314,0.315,0.316]
for j2 in j2list:
parms.append(
{
'LATTICE' : "coupled ladders",
{
'LATTICE' : "coupled ladders",
'local_S' : 0.5,
'ALGORITHM' : 'loop',
'SEED' : 0,
'BETA' : l,
'BETA' : 2*l,
'J0' : 1 ,
'J1' : 1,
'J2' : j2,
'THERMALIZATION' : 5000,
'SWEEPS' : 50000,
'SWEEPS' : 50000,
'MODEL' : "spin",
'L' : l,
'W' : l/2
'W' : l//2
}
)

#write the input file and run the simulation
input_file = pyalps.writeInputFiles('parm8d',parms)
pyalps.runApplication('loop',input_file)
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