updated libquantum 1.1.1 source files

This commit is contained in:
libquantum
2016-10-27 04:32:19 +09:00
parent 701c63cdc4
commit 1a998a6b26
28 changed files with 4053 additions and 3995 deletions

53
qtime.c
View File

@@ -1,6 +1,6 @@
/* qtime.c: Time evolution of a quantum system
Copyright 2006,2007 Bjoern Butscher, Hendrik Weimer
Copyright 2006-2013 Hendrik Weimer
This file is part of libquantum
@@ -30,7 +30,10 @@
#include "complex.h"
#include "config.h"
/* Forth-order Runge-Kutta */
/* Forth-order Runge-Kutta
Flags: QUANTUM_RK4_NODELETE: Do not delete quantum_reg returned by H
QUANTUM_RK4_IMAGINARY: Imaginary time evolution */
void
quantum_rk4(quantum_reg *reg, double t, double dt,
@@ -41,6 +44,7 @@ quantum_rk4(quantum_reg *reg, double t, double dt,
int i;
void *hash;
int hashw;
COMPLEX_FLOAT step = dt;
hash = reg->hash;
reg->hash = 0;
@@ -48,36 +52,39 @@ quantum_rk4(quantum_reg *reg, double t, double dt,
hashw = reg->hashw;
reg->hashw = 0;
if(!(flags & QUANTUM_RK4_IMAGINARY))
step *= IMAGINARY;
/* k1 */
k = quantum_matrix_qureg(H, t, reg, flags);
quantum_scalar_qureg(-IMAGINARY*dt/2.0, &k);
k = quantum_matrix_qureg(H, t, reg, flags & QUANTUM_RK4_NODELETE);
quantum_scalar_qureg(-step/2.0, &k);
tmp = quantum_vectoradd(reg, &k);
quantum_scalar_qureg(1.0/3.0, &k);
out = quantum_vectoradd(reg, &k);
quantum_delete_qureg(&k);
/* k2 */
k = quantum_matrix_qureg(H, t+dt/2.0, &tmp, flags);
k = quantum_matrix_qureg(H, t+dt/2.0, &tmp, flags & QUANTUM_RK4_NODELETE);
quantum_delete_qureg(&tmp);
quantum_scalar_qureg(-IMAGINARY*dt/2.0, &k);
quantum_scalar_qureg(-step/2.0, &k);
tmp = quantum_vectoradd(reg, &k);
quantum_scalar_qureg(2.0/3.0, &k);
quantum_vectoradd_inplace(&out, &k);
quantum_delete_qureg(&k);
/* k3 */
k = quantum_matrix_qureg(H, t+dt/2.0, &tmp, flags);
k = quantum_matrix_qureg(H, t+dt/2.0, &tmp, flags & QUANTUM_RK4_NODELETE);
quantum_delete_qureg(&tmp);
quantum_scalar_qureg(-IMAGINARY*dt, &k);
quantum_scalar_qureg(-step, &k);
tmp = quantum_vectoradd(reg, &k);
quantum_scalar_qureg(1.0/3.0, &k);
quantum_vectoradd_inplace(&out, &k);
quantum_delete_qureg(&k);
/* k4 */
k = quantum_matrix_qureg(H, t+dt, &tmp, flags);
k = quantum_matrix_qureg(H, t+dt, &tmp, flags & QUANTUM_RK4_NODELETE);
quantum_delete_qureg(&tmp);
quantum_scalar_qureg(-IMAGINARY*dt/6.0, &k);
quantum_scalar_qureg(-step/6.0, &k);
quantum_vectoradd_inplace(&out, &k);
quantum_delete_qureg(&k);
@@ -85,10 +92,14 @@ quantum_rk4(quantum_reg *reg, double t, double dt,
/* Normalize quantum register */
for(i=0; i<out.size; i++)
r += quantum_prob(out.node[i].amplitude);
if(flags & QUANTUM_RK4_IMAGINARY)
{
// quantum_scalar_qureg(sqrt(1.0/r), &out);
for(i=0; i<out.size; i++)
r += quantum_prob(out.amplitude[i]);
quantum_scalar_qureg(sqrt(1.0/r), &out);
}
out.hash = hash;
out.hashw = hashw;
@@ -130,10 +141,8 @@ quantum_rk4a(quantum_reg *reg, double t, double *dt, double epsilon,
for(i=0;i<reg->size;i++)
{
r = 2*sqrt(quantum_prob(reg->node[i].amplitude
- reg2.node[i].amplitude)/
quantum_prob(reg->node[i].amplitude
+ reg2.node[i].amplitude));
r = 2*sqrt(quantum_prob(reg->amplitude[i] - reg2.amplitude[i])/
quantum_prob(reg->amplitude[i] + reg2.amplitude[i]));
if(r > delta)
delta = r;
@@ -155,8 +164,14 @@ quantum_rk4a(quantum_reg *reg, double t, double *dt, double epsilon,
if(delta > epsilon)
{
memcpy(reg->node, old.node, reg->size*sizeof(quantum_reg_node));
memcpy(reg2.node, old.node, reg->size*sizeof(quantum_reg_node));
memcpy(reg->amplitude, old.amplitude,
reg->size*sizeof(COMPLEX_FLOAT));
memcpy(reg2.amplitude, old.amplitude,
reg->size*sizeof(COMPLEX_FLOAT));
if(reg->state && old.state)
memcpy(reg->state, old.state, reg->size*sizeof(MAX_UNSIGNED));
if(reg2.state && old.state)
memcpy(reg2.state, old.state, reg->size*sizeof(MAX_UNSIGNED));
}
} while(delta > epsilon);