atomtypes.atp

; Brief: This file defines the atom types.
; Note: The same chemical element, depending on which elements it's bonded to, i.e. its environment, can have different atom types.
; Source : 
;   PVDF >> Sahihi et al., J. Phys. Chem. C 2021 125 (39), 21635-21644, DOI: 10.1021/acs.jpcc.1c05894
;   CNT >> http://chembytes.wikidot.com/grocnt
; Author: Somajit Dey <dey.somajit@gmail.com> https://orcid.org/0000-0002-6102-9777
; References : 
;   1) https://pubchem.ncbi.nlm.nih.gov/element/9
;   2) https://manual.gromacs.org/documentation/2019/reference-manual/file-formats.html#atp
;
; atom_type   mass(u)
pvdf_CH3    12.01100  ; Terminal Carbon attached to 3 Hydrogens
pvdf_CH2    12.01100  ; Non-terminal Carbon attached to 2 Hydrogens
pvdf_CF2    12.01100  ; Non-terminal Carbon attached to 2 Fluorines
pvdf_CF3    12.01100  ; Terminal Carbon attached to 3 Fluorines
pvdf_H       1.00800  ; Hydrogen
pvdf_F      18.99840  ; Fluorine
cnt_H        1.00800  ; Terminal hydrogen capping CNT
cnt_C       12.01100  ; Carbon in CNT