代码搜索结果
找到约 2,916 项符合
Energy 的代码
hacks4_11a.js
window.onload=function(){
var _url="http://www.parkerriver.com/energy.jsp?priceTyp=";
if($("fuelType")){
$("fuelType").onchange=function(){
try{
showQuote(d
bealgorithm2007.java
/****
* Name: Han Zhang
* Date: 09/04/2007
* Descripe: Bond energy algorithm
*/
import java.io.*;
import java.util.*;
public class BEAlgorithm {
//***********************************
mpqc.in
nproc = 2
molecule = $:ch2
coor = $:symcoor
message = $:message1
basis_matrixkit = $:replmatrixkit
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%
% molecular energy
%
% can be CLSCF, HSOSSCF, OSSSC
ckpt_1clkssvwn1.in
mpqc: (
savestate = yes
restart = yes
restart_file = "ckpt_0clkssvwn1.wfn"
do_energy = yes
do_gradient = yes
)
ckpt_1clksbp86.in
mpqc: (
savestate = yes
restart = yes
restart_file = "ckpt_0clksbp86.wfn"
do_energy = yes
do_gradient = yes
)
ckpt_1clkssvwn5.in
mpqc: (
savestate = yes
restart = yes
restart_file = "ckpt_0clkssvwn5.wfn"
do_energy = yes
do_gradient = yes
)
ckpt_1clkssvwn3.in
mpqc: (
savestate = yes
restart = yes
restart_file = "ckpt_0clkssvwn3.wfn"
do_energy = yes
do_gradient = yes
)
ckpt_1clkshfg96.in
mpqc: (
savestate = yes
restart = yes
restart_file = "ckpt_0clkshfg96.wfn"
do_energy = yes
do_gradient = yes
)
ckpt_1mp2.in
mpqc: (
savestate = yes
restart = yes
restart_file = "ckpt_0mp2.wfn"
do_energy = yes
do_gradient = yes
)
ckpt_1clkssvwn4.in
mpqc: (
savestate = yes
restart = yes
restart_file = "ckpt_0clkssvwn4.wfn"
do_energy = yes
do_gradient = yes
)