计算化学公社

 找回密码 Forget password
 注册 Register
Views: 9551|回复 Reply: 56
打印 Print 上一主题 Last thread 下一主题 Next thread

[ORCA] ORCA 6.0.0 Release Event (2024.7.25)

  [复制链接 Copy URL]

1万

帖子

0

威望

8993

eV
积分
20743

Level 6 (一方通行)

本帖最后由 wzkchem5 于 2024-7-23 21:36 编辑

https://orcaforum.kofo.mpg.de/viewtopic.php?f=8&t=11506

Dear ORCA community,

after almost exactly 3 years of exceptionally hard work, the development team is very excited to announce that ORCA 6.0.0 will be released on

Thursday, July 25th, 2024

As for ORCA 5 before, there will be a *two day* online release event on July 25th and 26th, 2024.

The release event will start with an overview of the changes in the code, benchmarks and the new features followed by more detailed talks that highlight and explain the new features.

Since we now have over 70000 users world-wide, we will stream the release event twice: one time in the morning (probably 8:00 CET) which will allow our users in the west to attend and one time in evening (probably around 18:00 CET) such that our users in the west can attend. As last time, the talks will be pre-recorded and the respective experts will be online for vivid and lively online discussion during the stream.

We will post the details on the online access to the meeting in due course.

We promise that you will be in for a treat - ORCA 6 is a major turning point for the ORCA project and will pave the way into the future.

Hence, please stay tuned and we hope that we see many of you at the release event!

更新(2024.7.23):现在出zoom链接了
注意以下都是德国时间,25号、26号都是德国上午8点首播,德国下午6点重播。适合国内时区的是8点开始的那场,相当于国内下午2点
Here are the ZOOM links for the ORCA 6.0 release event :


Jul 25, 2024 08:00 AM Amsterdam, Berlin, Rome, Stockholm, Vienna
ORCA 6.0 Release Event Session 1 - Eastern Timezones
https://eu02web.zoom-x.de/j/69192599613 ... Gjd0bCXQ.1
Passcode: 358118

Jul 25, 2024 06:00 PM Amsterdam, Berlin, Rome, Stockholm, Vienna
ORCA 6.0 Release Event Session 1 - Western Timezones
https://eu02web.zoom-x.de/j/65542809770 ... EtAgPJYe.1
Passcode: 538844


Jul 26, 2024 08:00 AM Amsterdam, Berlin, Rome, Stockholm, Vienna
ORCA 6.0 Release Event Session 2 - Eastern Timezones
https://eu02web.zoom-x.de/j/69516585832 ... AVgYvkDT.1
Passcode: 090768

Jul 26, 2024 06:00 PM Amsterdam, Berlin, Rome, Stockholm, Vienna
ORCA 6.0 Release Event Session 2 - Western Timezones
https://eu02web.zoom-x.de/j/65489837349 ... W3eWaRgS.1
Passcode: 830184


If you want to share the links with someone who does not have access to the ORCA forum, here is
the link to the official MPI KoFo page with all informations :
https://www.kofo.mpg.de/events/38693/2540



评分 Rate

参与人数
Participants 25
eV +115 收起 理由
Reason
yangqy + 5 赞!
兲选之人 + 5 赞!
黑色桃花 + 5 好物!
goodname + 5 赞!
zhaixiaoyi001 + 5 赞!
liuxdhs + 5 赞!
小可几何 + 2 赞!
ezez + 5 赞!
mmxii2012 + 5 赞!
AimedarXie + 5 赞!
suyanxu + 5 赞!
洛兰希尔 + 5 赞!
a1571901778 + 5 Support!
njust-lbc + 5 牛!
dtk + 4 とてもいい!
lnf + 5 赞!
tiandikuoyuan + 5 赞!
MercuryLamp + 5 赞!
不想飞的猫头鹰 + 3 好物!
乐平 + 5 赞!

查看全部评分 View all ratings

Zikuan Wang
山东大学光学高等研究中心 研究员
BDF(https://bdf-manual.readthedocs.io/zh_CN/latest/Introduction.html)、ORCA(https://orcaforum.kofo.mpg.de/index.php)开发团队成员
Google Scholar: https://scholar.google.com/citations?hl=zh-CN&user=XW6C6eQAAAAJ&view_op=list_works&sortby=pubdate
ORCID: https://orcid.org/0000-0002-4540-8734
主页:http://www.qitcs.qd.sdu.edu.cn/info/1034/1702.htm
本团队长期招收研究生,有意者可私信联系

366

帖子

1

威望

7514

eV
积分
7900

Level 6 (一方通行)

2#
发表于 Post on 2024-7-11 09:06:04 | 只看该作者 Only view this author
祝贺啊!

389

帖子

1

威望

4828

eV
积分
5237

Level 6 (一方通行)

3#
发表于 Post on 2024-7-11 09:46:36 | 只看该作者 Only view this author
喜大普奔。

201

帖子

0

威望

535

eV
积分
736

Level 4 (黑子)

4#
发表于 Post on 2024-7-11 09:50:33 | 只看该作者 Only view this author
终于不再是rumor了,加油。

62

帖子

0

威望

2681

eV
积分
2743

Level 5 (御坂)

计算化学爱好者

5#
发表于 Post on 2024-7-11 10:03:29 | 只看该作者 Only view this author
老师您好,好奇相对于5.0.4主要更新是啥呢?

评分 Rate

参与人数
Participants 1
eV +5 收起 理由
Reason
zsu007 + 5 我很赞同

查看全部评分 View all ratings

Change isn't just a slogan. It begins with hard work.

524

帖子

3

威望

6220

eV
积分
6804

Level 6 (一方通行)

6#
发表于 Post on 2024-7-11 10:20:08 | 只看该作者 Only view this author
好事啊,今天中午我要以再多干两碗饭
恍惚月余,深谙人与人之间的差距。以后还应努力学习,才能与强者比肩。

153

帖子

2

威望

1476

eV
积分
1669

Level 5 (御坂)

计算化学公社外门弟子

7#
发表于 Post on 2024-7-11 12:11:56 | 只看该作者 Only view this author
期待 orca 6 的 NEB 模块效率高一点

评分 Rate

参与人数
Participants 1
eV +5 收起 理由
Reason
zsu007 + 5 我很赞同

查看全部评分 View all ratings

KimariYB, Postgraduate, XiaMen University
School of Electronic Science and Engineering (National Model Microelectronics College)
Research interests: theoretical and computational chemistry and machine learning

103

帖子

0

威望

3831

eV
积分
3934

Level 5 (御坂)

8#
发表于 Post on 2024-7-12 00:12:12 | 只看该作者 Only view this author
one time in the morning (probably 8:00 CET) which will allow our users in the west to attend and one time in evening (probably around 18:00 CET) such that our users in the west can attend

Then what about users in the east?

评分 Rate

参与人数
Participants 2
eV +6 收起 理由
Reason
wzkchem5 + 1 good point...
imasen + 5 west and far far west

查看全部评分 View all ratings

「狩りってのは先に焦せった方の負けだ、ハンターも獲物もな」

1657

帖子

5

威望

4560

eV
积分
6317

Level 6 (一方通行)

喵星人

9#
发表于 Post on 2024-7-12 01:50:44 | 只看该作者 Only view this author
期待加入iefpcm溶剂模型,现在的对于带电体系实在是过于不可靠了

1万

帖子

0

威望

8993

eV
积分
20743

Level 6 (一方通行)

10#
 楼主 Author| 发表于 Post on 2024-7-12 04:16:06 | 只看该作者 Only view this author
喵星大佬 发表于 2024-7-11 18:50
期待加入iefpcm溶剂模型,现在的对于带电体系实在是过于不可靠了

目前这一版还不支持,但是支持了其他的溶剂模型,比如DRACO(根据原子电荷动态调整原子半径)
Zikuan Wang
山东大学光学高等研究中心 研究员
BDF(https://bdf-manual.readthedocs.io/zh_CN/latest/Introduction.html)、ORCA(https://orcaforum.kofo.mpg.de/index.php)开发团队成员
Google Scholar: https://scholar.google.com/citations?hl=zh-CN&user=XW6C6eQAAAAJ&view_op=list_works&sortby=pubdate
ORCID: https://orcid.org/0000-0002-4540-8734
主页:http://www.qitcs.qd.sdu.edu.cn/info/1034/1702.htm
本团队长期招收研究生,有意者可私信联系

1万

帖子

0

威望

8993

eV
积分
20743

Level 6 (一方通行)

11#
 楼主 Author| 发表于 Post on 2024-7-12 04:16:45 | 只看该作者 Only view this author
zx4562430 发表于 2024-7-11 03:03
老师您好,好奇相对于5.0.4主要更新是啥呢?

这个多了去了,一个帖子写不下

评分 Rate

参与人数
Participants 1
eV +3 收起 理由
Reason
Novice + 3 那就写两个帖子

查看全部评分 View all ratings

Zikuan Wang
山东大学光学高等研究中心 研究员
BDF(https://bdf-manual.readthedocs.io/zh_CN/latest/Introduction.html)、ORCA(https://orcaforum.kofo.mpg.de/index.php)开发团队成员
Google Scholar: https://scholar.google.com/citations?hl=zh-CN&user=XW6C6eQAAAAJ&view_op=list_works&sortby=pubdate
ORCID: https://orcid.org/0000-0002-4540-8734
主页:http://www.qitcs.qd.sdu.edu.cn/info/1034/1702.htm
本团队长期招收研究生,有意者可私信联系

135

帖子

0

威望

1587

eV
积分
1722

Level 5 (御坂)

12#
发表于 Post on 2024-7-12 10:02:15 | 只看该作者 Only view this author
期待啊!!

356

帖子

0

威望

2251

eV
积分
2607

Level 5 (御坂)

13#
发表于 Post on 2024-7-12 15:10:14 | 只看该作者 Only view this author
期待

202407121510013308..png (3.49 KB, 下载次数 Times of downloads: 79)

202407121510013308..png

19

帖子

1

威望

902

eV
积分
941

Level 4 (黑子)

14#
发表于 Post on 2024-7-19 16:44:00 | 只看该作者 Only view this author
666,福音浩荡

195

帖子

0

威望

3238

eV
积分
3433

Level 5 (御坂)

15#
发表于 Post on 2024-7-20 20:09:21 | 只看该作者 Only view this author
喜大普奔

本版积分规则 Credits rule

手机版 Mobile version|北京科音自然科学研究中心 Beijing Kein Research Center for Natural Sciences|京公网安备 11010502035419号|计算化学公社 — 北京科音旗下高水平计算化学交流论坛 ( 京ICP备14038949号-1 )|网站地图

GMT+8, 2025-8-15 07:18 , Processed in 0.177331 second(s), 24 queries , Gzip On.

快速回复 返回顶部 返回列表 Return to list