PVPC代码的运行脚本

我们写的 PVPC 的代码在 gitee 上可以下载：https://gitee.com/luyi07/pvpc.git
这里摘录一个脚本，用来自动做变分+投影，在最新的版本里会放在 example/run.sh 中，运行方法：
bash run.sh

#!/bin/bash

nucleus=Cr48
pN=2
nN=2
jsp="example/pf/pf.jsp"
xpn="example/pf/pf+pairing.xpn"
pjpair="best-proton.pair01"
njpair="best-neutron.pair01"

:<<!
echo "======================================================================="
echo "                  variation starts "
echo "-----------------------------------------------------------------------"
./pvpc.x << input
v               # mode: optimize
$nucleus            # nucleus
$pN               # number of proton pairs
$nN               # number of neutron pairs
$jsp       # file for j-scheme single particle orbits
xpn             # format of interactions: J-scheme P+Q interactions
$xpn       # file for j-scheme P+Q interactions
y               # scaling
1               # number of optimized pair condensates ordered, though they may turn out to be linearly dependent.
y               # start from random pairs
input
echo "-----------------------------------------------------------------------"
echo "                  variation ends "
echo "======================================================================="
!

echo "======================================================================="
echo "                  LAP starts "
echo "-----------------------------------------------------------------------"
./pvpc.x << Input
LAP                     // mode
$nucleus                    // nucleus
$pN                       // # of proton pairs
$nN                       // # of neutron pairs
$jsp                       // file for j-scheme single particle space
xpn                     // format of interactions
$xpn                       // file for interactions
y                       // scale or not
1                       // number of pair condensates
$pjpair   $njpair
16                      // Jmax to be projected, not doubled
Input
echo "-----------------------------------------------------------------------"
echo "                  LAP ends "
echo "======================================================================="