Skip to content

Commit 14a99c7

Browse files
alexvakimovalexvakimov
committed
Merge branch 'devel'
2 parents e727874 + 4fb52ec commit 14a99c7

Some content is hidden

Large Commits have some content hidden by default. Use the searchbox below for content that may be hidden.

42 files changed

+3268
-459
lines changed

‎.zenodo.json‎

Lines changed: 239 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,239 @@
1+
{
2+
"access": {
3+
"embargo": {
4+
"active": false,
5+
"reason": null
6+
},
7+
"files": "public",
8+
"record": "public",
9+
"status": "open"
10+
},
11+
"metadata": {
12+
"creators": [
13+
{
14+
"affiliations": [
15+
{
16+
"id": "01y64my43",
17+
"name": "University at Buffalo, State University of New York"
18+
}
19+
],
20+
"person_or_org": {
21+
"family_name": "Akimov",
22+
"given_name": "Alexey",
23+
"name": "Akimov, Alexey",
24+
"type": "personal"
25+
},
26+
"orcid": "0000-0002-7815-3731"
27+
},
28+
{
29+
"affiliations": [
30+
{
31+
"id": "01y64my43",
32+
"name": "University at Buffalo, State University of New York"
33+
}
34+
],
35+
"person_or_org": {
36+
"family_name": "Shakiba",
37+
"given_name": "Mohammad",
38+
"name": "Shakiba, Mohammad",
39+
"type": "personal"
40+
}
41+
},
42+
{
43+
"affiliations": [
44+
{
45+
"id": "01y64my43",
46+
"name": "University at Buffalo, State University of New York"
47+
}
48+
],
49+
"person_or_org": {
50+
"family_name": "Smith",
51+
"given_name": "Brendan",
52+
"name": "Smith, Brendan",
53+
"type": "personal"
54+
}
55+
},
56+
{
57+
"affiliations": [
58+
{
59+
"id": "02b6qw903",
60+
"name": "University of South Carolina"
61+
}
62+
],
63+
"person_or_org": {
64+
"family_name": "Dutra",
65+
"given_name": "Matthew",
66+
"name": "Dutra, Matthew",
67+
"type": "personal"
68+
}
69+
},
70+
{
71+
"affiliations": [
72+
{
73+
"id": "01y64my43",
74+
"name": "University at Buffalo, State University of New York"
75+
}
76+
],
77+
"person_or_org": {
78+
"family_name": "Han",
79+
"given_name": "Daeho",
80+
"name": "Han, Daeho",
81+
"type": "personal"
82+
}
83+
},
84+
{
85+
"affiliations": [
86+
{
87+
"id": "01y64my43",
88+
"name": "University at Buffalo, State University of New York"
89+
}
90+
],
91+
"person_or_org": {
92+
"family_name": "Sato",
93+
"given_name": "Kosuke",
94+
"name": "Sato, Kosuke",
95+
"type": "personal"
96+
}
97+
},
98+
{
99+
"affiliations": [
100+
{
101+
"id": "01y64my43",
102+
"name": "University at Buffalo, State University of New York"
103+
}
104+
],
105+
"person_or_org": {
106+
"family_name": "Temen",
107+
"given_name": "Story",
108+
"name": "Temen, Story",
109+
"type": "personal"
110+
}
111+
},
112+
{
113+
"affiliations": [
114+
{
115+
"id": "01dzed356",
116+
"name": "Hunan Agricultural University"
117+
}
118+
],
119+
"person_or_org": {
120+
"family_name": "Li",
121+
"given_name": "Wei",
122+
"name": "Li, Wei",
123+
"type": "personal"
124+
}
125+
},
126+
{
127+
"affiliations": [
128+
{
129+
"id": "046rm7j60",
130+
"name": "University of California, Los Angeles"
131+
}
132+
],
133+
"person_or_org": {
134+
"family_name": "Khvorost",
135+
"given_name": "Taras",
136+
"name": "Khvorost, Taras",
137+
"type": "personal"
138+
}
139+
},
140+
{
141+
"affiliations": [
142+
{
143+
"id": "02vpsdb40",
144+
"name": "New York University Shanghai"
145+
}
146+
],
147+
"person_or_org": {
148+
"family_name": "Sun",
149+
"given_name": "Xiang",
150+
"name": "Sun, Xiang",
151+
"type": "personal"
152+
}
153+
},
154+
{
155+
"affiliations": [
156+
{
157+
"id": "02b6qw903",
158+
"name": "University of Southern California"
159+
}
160+
],
161+
"person_or_org": {
162+
"family_name": "Stippell",
163+
"given_name": "Liz",
164+
"name": "Stippell, Liz",
165+
"type": "personal"
166+
}
167+
},
168+
{
169+
"affiliations": [
170+
{
171+
"id": "02qyf5152",
172+
"name": "Indian Institute of Technology Bombay"
173+
}
174+
],
175+
"person_or_org": {
176+
"family_name": "Jain",
177+
"given_name": "Amber",
178+
"name": "Jain, Amber",
179+
"type": "personal"
180+
}
181+
}
182+
],
183+
"resource_type": {
184+
"id": "software",
185+
"title": {
186+
"de": "Software",
187+
"en": "Software"
188+
}
189+
},
190+
"rights": [
191+
{
192+
"description": {
193+
"en": "Permissions of this strong copyleft license are conditioned on making available complete source code of licensed works and modifications, which include larger works using a licensed work, under the same license. Copyright and license notices must be preserved. Contributors provide an express grant of patent rights."
194+
},
195+
"id": "gpl-3.0-or-later",
196+
"props": {
197+
"scheme": "spdx",
198+
"url": "https://www.gnu.org/licenses/gpl-3.0-standalone.html"
199+
},
200+
"title": {
201+
"en": "GNU General Public License v3.0 or later"
202+
}
203+
}
204+
],
205+
"subjects": [
206+
{
207+
"subject": "nonadiabatic dynamics"
208+
},
209+
{
210+
"subject": "trajectory surface hopping"
211+
},
212+
{
213+
"subject": "nonadiabatic molecular dynamics"
214+
},
215+
{
216+
"subject": "molecular dynamics"
217+
},
218+
{
219+
"subject": "excited states"
220+
},
221+
{
222+
"subject": "computational chemistry"
223+
},
224+
{
225+
"subject": "charge transfer"
226+
},
227+
{
228+
"subject": "quantum dynamics"
229+
},
230+
{
231+
"subject": "solid state"
232+
},
233+
{
234+
"subject": "molecular simulations"
235+
}
236+
]
237+
}
238+
}
239+

0 commit comments

Comments
 (0)