Tinker9
70bd052 (Thu Nov 9 12:11:35 2023 -0800)
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include
ff
echglj.h
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#pragma once
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#include "ff/echarge.h"
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#include "ff/evdw.h"
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#include "tool/rcman.h"
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namespace
tinker
{
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void
echgljData
(
RcOp
);
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void
echglj
(
int
vers);
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}
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//====================================================================//
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// //
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// Global Variables //
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// //
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//====================================================================//
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// chglj
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namespace
tinker
{
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TINKER_EXTERN
int
ncvexclude
;
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TINKER_EXTERN
int (*
cvexclude
)[2];
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TINKER_EXTERN
real
(*
cvexclude_scale
)[2];
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TINKER_EXTERN
bool
vdwpr_in_use
;
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TINKER_EXTERN
int
*
mut_coalesced
;
// n
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TINKER_EXTERN
real
*
chg_coalesced
;
// n
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TINKER_EXTERN
real
*
radeps_coalesced
;
// 2*n
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}
tinker::echglj
void echglj(int vers)
tinker::echgljData
void echgljData(RcOp)
TINKER_EXTERN
#define TINKER_EXTERN
Definition:
macro.h:108
tinker::real
float real
Definition:
precision.h:80
tinker::ResourceOperation
ResourceOperation
Definition:
rcman.h:46
tinker
Definition:
testrt.h:9
tinker::vdwpr_in_use
bool vdwpr_in_use
tinker::cvexclude
int(* cvexclude)[2]
tinker::radeps_coalesced
real * radeps_coalesced
tinker::ncvexclude
int ncvexclude
tinker::chg_coalesced
real * chg_coalesced
tinker::mut_coalesced
int * mut_coalesced
tinker::cvexclude_scale
real(* cvexclude_scale)[2]
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