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/240722/4570618

qci mbpt_mp2v1.qci

method: mp2 gradient: no
www.eeworm.com/read/240722/4570621

qci mbpt_mp2mem_auto.qci

method: mp2 gradient: no
www.eeworm.com/read/240722/4570623

qci mbpt_mp2v2_mp.qci

method: mp2 gradient: no
www.eeworm.com/read/240722/4570628

qci mbpt_mp2v2.qci

method: mp2 gradient: no
www.eeworm.com/read/240722/4570527

qci ckpt_1mp2.qci

method: mp2 gradient: yes
www.eeworm.com/read/240722/4570567

qci ckpt_mp2.qci

method: mp2 gradient: yes
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