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 "======================================================================="