最近做的代码改名字了，以前叫PVPC，现在干脆叫 PAVPC，即 projection after variation of pair condensate，这样可以区分开"projection after variation"和"variation after projection"。
现在给这个代码写一个脚本 run.sh，可以用来计算 \(sd\) 壳和 \(pf\) 壳的任意偶偶核的投影能谱和B(E2)值，只需给脚本传递 4 个参数即可：

#!/bin/bash
# ./run.sh x y sd nmini
# variation + LAP + B(E2) for x proton pairs and y neutron pairs in sd shell

pN=$1
nN=$2
shell=$3
nucleus=p${pN}n${nN}

jsp="example/$shell/$shell.jsp"
int="example/$shell/$shell.pn"
pjpair="output/best-proton.pair"
njpair="output/best-neutron.pair"

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
$int            # file for interactions
y               # scaling
y               # start from random pairs
$4               # number of optimized pair condensates
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
$int                       // 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 "======================================================================="

echo "copy the lowest pairs into sdpairs/ or pfpairs/"
cp $pjpair ${shell}pairs/$nucleus-best-proton.pair
cp $njpair ${shell}pairs/$nucleus-best-neutron.pair

pjpair=${shell}pairs/$nucleus-best-proton.pair
njpair=${shell}pairs/$nucleus-best-neutron.pair
unitchoice=1            # 1/2 for e2fm4 / W.u., 3 for e2fm4 with BAB's hbar omega

echo " ----------------------------------------------- "
echo "         Calculate B(E2) values    "
echo " ----------------------------------------------- "
./pvpc.x << Input
EMtrans                 # mode: E&M transition
$nucleus                # nucleus name
$pN                     # number of proton pairs
$nN                     # number of neutron pairs
$jsp                    # j-scheme single particle info
xpn                     # interaction format
$int                     # interaction file name
y                       # scale or not
1                       # number of pair condensates
$pjpair  $njpair
output/${shell}e2.jQt         # filejQt for transition operator
e                       # electric
2                       # quadrapole
1.5  0.5                # ep, en
$unitchoice                     # choice of unit, 1/2 for e2fm4/W.u.
output/$nucleus.eig         # file for wavefunctions
Input

echo cp output/$nucleus.trans sdpairs/
cp output/$nucleus.trans sdpairs/

赋予脚本可执行权限，然后：

./run.sh 1 1 sd 5

即对 Ne20 求 5 个低能的 pair condensate，然后取能量最低的，进行 LAP 投影，最后把最优的对命名为 pxnx-best-proton.pair, pxnx-best-neutron.pair，拷贝到 sdpairs/ 中，跃迁值命名为 pxnx.trans 也拷贝到 sdpairs/ 中。
如果需要一次算好几个核，可以使用下面的代码：

#!/bin/bash

sleep 30
date

for(( pN = 3; pN <= 3; pN ++ ))
do
        for(( nN = 1; nN <=5; nN ++ ))
        do
                time ./run.sh $pN $nN sd 5
        done
done
date

其中，sleep后面的参数是等待的秒数，设置适当的秒数，可以让办公室电脑等到晚上十点再启动，就不会打扰加班的同事。