代码搜索:MP2
找到约 60 项符合「MP2」的源代码
代码结果 60
www.eeworm.com/read/240722/4570044
in mbpttest.in
% for mpqcic
mpqc:(
frozen_docc = 1
frozen_uocc = 1
)
default:(
% for open shell
%opentype = highspin
%docc = 3
%socc = 2
%mp2 = yes
%dertype = none
% for closed shell
mp2 = ye
www.eeworm.com/read/248638/12549697
m mp2_func.m
function Mp2=Mp2_func(s,fs,fc)
h=hilbert(s);
fai=fai0_func(h,fs,fc);
p1=A_func(fai);
Mp2=M_func(A_func(p1));
www.eeworm.com/read/240722/4570436
qci h2omp2.qci
test_basis: 6-31G*
test_method: mp2
test_symmetry: c2v
test_calc: energy opt
test_fzc: 0 1
test_fzv: 0 1
restart: no
checkpoint: no
label: water mp2 test series
molecule:
O 0.000000000 0 0.369
www.eeworm.com/read/412487/11197806
cpp ui.cpp
#include ".\ui.h"
CUI::CUI(HANDLE hOut)
{
m_hOut=hOut;
}
CUI::~CUI(void)
{
}
void CUI::UpDate(int hp1 , int mp1 , int hp2 , int mp2)
{
DrawBar(hp1 , mp1 , hp2 , mp2);
}
v