From 0af276cfc5030d98b9657910304cab44484cb48c Mon Sep 17 00:00:00 2001
From: Panadestein <rpana92@gmail.com>
Date: Wed, 25 Nov 2020 16:59:53 +0100
Subject: [PATCH] Almost functional version. Need correct Cord

---
 .gitignore      |   3 ++-
 el_nuc_el.irp.f |  32 ++++++++++++++++++++++++++++++++
 electrons.irp.f |   4 ++++
 jastrow         | Bin 0 -> 28712 bytes
 jastrow.irp.f   |   8 +++-----
 nuclei.irp.f    |   4 +++-
 orders.irp.f    |   2 +-
 rescale.irp.f   |  34 ++++++++++++++++++++++++++++++----
 8 files changed, 75 insertions(+), 12 deletions(-)
 create mode 100755 jastrow

diff --git a/.gitignore b/.gitignore
index 7ac9fbf..c61bd0a 100644
--- a/.gitignore
+++ b/.gitignore
@@ -2,4 +2,5 @@ IRPF90_temp/
 IRPF90_man/
 irpf90.make
 irpf90_entities
-tags
\ No newline at end of file
+tags
+*.mod
\ No newline at end of file
diff --git a/el_nuc_el.irp.f b/el_nuc_el.irp.f
index e69de29..1190e8d 100644
--- a/el_nuc_el.irp.f
+++ b/el_nuc_el.irp.f
@@ -0,0 +1,32 @@
+BEGIN_PROVIDER [double precision, factor_een]
+ implicit none
+ BEGIN_DOC
+ ! Electron-electron nucleus contribution to Jastrow factor
+ END_DOC
+ integer :: i, j, alpha, p, k, l, lmax = 0
+ factor_een = 0.0d0
+ 
+ do alpha = 1, nnuc
+    do j = 1, nelec
+       do i = 1, nelec
+        do p = 2, ncord
+           do k = p - 1, 0
+              if ( k == 0 ) then
+                 lmax = p - k - 2
+              else
+                 lmax = p - k
+              end if
+              do l = lmax, 0
+                 if ( mod(p - k - l, 2) == 0 ) then
+                    factor_een = factor_een + cord_vect(p, k, l) * rescale_een_e(i, j) ** k &
+                         * (rescale_een_n(i, alpha) ** l + rescale_een_n(j, alpha) ** l) *  &
+                         (rescale_een_n(i, alpha) * rescale_een_n(j, alpha)) ** ((p - k - l) * 0.5d0)
+                 end if
+              end do
+           end do
+        end do
+       end do
+    end do
+ end do
+
+END_PROVIDER
diff --git a/electrons.irp.f b/electrons.irp.f
index e165403..c9fd51a 100644
--- a/electrons.irp.f
+++ b/electrons.irp.f
@@ -43,6 +43,10 @@ BEGIN_PROVIDER [double precision, factor_ee]
  BEGIN_DOC
  ! Electron-electron contribution to Jastrow factor
  END_DOC
+ integer :: i, j
+ double precision :: pow_ser = 0.0d0
+ factor_ee = 0.0d0
+
  do j = 1 , nelec
     do i = 1, nelec
        do p = 2, nbord
diff --git a/jastrow b/jastrow
new file mode 100755
index 0000000000000000000000000000000000000000..dd3601f75cf9f75a3d6492485e05dba8aff495e6
GIT binary patch
literal 28712
zcmeHw4SZD9weOis4n#3Ci4u)S%&4IRH8BYU1A=BSzzIws@+Dr;$z*0iqWN+%!Jt%Q
zL#WenD7CiN`g^w2);?;rVz2FuXf=FD@be+978Nv5lru^N5hYq=?tkr%nKP3adw;+C
zZr|^{m&0#n?X~t=Yp=ET_dc1;-LoBY(o7~rK4#@=g|H3ToKh(=^hS{Ys8lMHG5F3?
z#w(+Mr!yMQujBx^{Ao;!hZ%xy1|+#nB0mw17km;*3ki~3s>e2l=SZkzah&8-N(wv?
zmS4>IB$WBl@+x_L)G>kg35O&!%28}K)o{5@H^sy62`6-7qDR<8;UH3<kn0n2652$(
zB$V+ab@bUG@)Kbd^5~I}c<HJA!0(~-#%mcm4DR4$MM5ce9pt3xg5?{54ErKcUaGh(
z7xqgi>-~!6ruwN<u4wiYH8-_(b`^D1Of8x^rMRQ5xQzKd7Nt|0n!8}Bvi|ZT%j?%|
z`s2=<&zSaU{^fTLzBqq1*-bW(KH{N=_(gGyPI<CC%Ky(ibHH?V62_;XC>j0!6#U~-
z@Ox75ccq~Jj}&_Hz;DAR@##y!|9T4g%_-<0E4D=Czz0+CU!H>hB<RWF_5$==oJ9X)
zDfri=DEIvo{QW8D8&l{hPeJcUL7$(3t~jfg)Hpp}pLb<bhu`a4Qgdx{TdQ}8tG?N*
zIGrn7+FG3*ewWYhbaK|@j4K=3e14y+)k$9+4PKwq=XEtZZ}&C%p(dJ(Oix>j(^p}j
zb@+Wvtt*|)UJ`C<G32=0THP)`iYEpGy{*IP_4(R-PM6<6jh5{4`CO}q72V<IB&P@N
zB@=Tux_mA-LNH9!*V*cCYVjs3w8QInwzd14+FCmdI%Qb~lDoar$&|#o4r!NfWxObh
z28)EZs~uH<=(}%qx*KnGHn^Ial@@Oc3RPNM&CP9YWV^du&W5H|S98-HRACsV+@iu-
zTurS?gU{<#K$KNLBUU*PS|~M@Ww{|iSSew*b-Fw)E`K8tN{Ha*jB_2;v#xcP6_-s@
zWO7P0RR*1N=PX>bWRZP=v$Q0Zu0XTK7-z<Z|D$ox%y2pWnK3W&yio#@j0yj~K%1p8
z(}qvr2S3JepRP<21EvYQ`AAcK2|i<+nlfqTnj&bO<C@N(60SDze<1XMT`BqT706eW
zd4j+3%lk)@rOO1roG<14)-48w&0;>3^b$eeRYzJCMbag{*U9NLSIIo03>xTXau)Wj
z8|Y^l=*J9ni-A65pi?a5lUv7Aa0-!(J+?ZYCc1Ey5ef}-nwR8LQpZ!oFXvvORMgS8
zq7a>}YZ#^|m32HpbmRQ28R(QJpV~T}A{r_r`Yf;GNurO5QWd4nKu3i~pGE`S8l@^q
zyMZp2lq|Q)KsS!}-3IzOjFW%eYoOCyFP{x{JVkcqNFv~absQo3xjf0fH`Z~4=;!ey
z``%Q?5u)ev<jD6(1V$n-5`q7xBk-B^!mqTRBN<vyeQBYhXubXZw8(C)XGg|%=69t0
zAjpvkhwyF9uSAOQM#>8hM(|8{hj5zW!n+y1hj5zO!u<??nQ$}Vn;E{1aGJ`(8yUWZ
zaGJux8yNmO!fEOXcQgDk!f99zw=?_^!f7fG*D?Gd!fEOX*E0Nm!f8qmS2Fy2gwqrj
zE@Ak02&bt%Y-9Kxgws?O&SJQaaGK)73d3(9+)DVd(;!T!C!D7G@F2tgg>ahM!n+y1
zh;W+H!u`N0w)$Tnr-jNl7c0sO<ca<V5cF&Wt+Zc%ES~_2xHVs)`Y8Qdb>NMgwZK8G
z=g_g*C617~%7&^5Wk$fNg=TIdyK*jGpeQFc0KKi2sOl{QrVaUXP?Z+sQB|H18MNki
zqeNx9fZ(??{_^PrCY{y-$F!}VT%&CrGHa%t+8d|+W1-+p96ykPjL2YvHNPq*Pxf`s
zR3WQ$PF||@%={fV6)o_AKT`|NT!nHYIU7OJ-LP?|x(~rH-L$=-*qXnV%uu#B#M0EB
zNMCp*c!hoTB}*4;_Z+dI0R=Oi*C~oe3#LyfWM!-^$OXByzxO5U+BFDXFsA`_^zN~)
zy@xP$7h(O@wf6#pMbA?u!{0FZ@@zK{YE}9jXlstpgwaLBbW{tBFK`4r1sMZX1zB|1
zq)$h!mA<rvS{UVr%2z|Je&}mdVc@9#Du+=K+E<ef-ArP8!2U9}w#4ZZ5)UOvTqq^p
zKt^0an-MJiP9f$_5JT1Tf=C}L$R!FoLr9b+NZ6!ABT2jjo48Y<@`>cp*+T5AQ}8Uv
zW9!i_<H7DkCG4O|kU{*VLs4$L$-W|d83KcLs{aD3q+remsBlz3@7?5mzy4G7gP>Xo
zKTr?7U7Q%mL|<q|T7MEn8LJ=d%6`3lnSH5!Np;}FQZ4W`)qNp~)q;5kQEf>oKd4qy
znf?CGp!zegglbKFI);~fzM^mI!rhvCn`TxYM^+%`E_`cS2S;nBz12OZ?zVn^IhqDi
z8P=X3q7?fVJJPMaCdk$F9<uiKfwZL?QJWW<VSAp!=a_U*ANTi2B)k%GtRHB7AS))c
zByB*Q5B1$ZwSelNl6v2@_C5e5FLa+UDY_kk$QegDf$iu`*0oQPYg_{gMemt`Owx1_
zL7u!2Npb~LGm<Enl6w(<dXW48$!?xJ6AZkes$-C}_R_%nf`+!DZ~uywz7Nc-=v$D}
zM`Bxq#!q4zKSq)jY1#|@uK^Q0kHmPMM3RacP+t`Jft-A#SX|d{LiK)TZJVuFv(cs7
zYO<`^S{4#ZZPx5s8xl8_ShJUxAmOdFX4h3B(Nb&8ZmdP3v(B2`UWdfD+pXDM?bU$~
zF`B(L2}Pkx(pp>#R25`60w*<QKXqa)kY1qw03JHrGas6-D6>oV)bvJbtlC%AA*Wdj
zysz*05}BdQUqX!|@D(W4ffwz42rG@FhpS1&PJJPmw7@%#z$ehIZzU0Q++Q;)NQd>C
zk+g4t5R{zM0-qp~j=&zxTD@EUA>%%&KTF(+-N)M7PbCF&Zh~=|Tm51lfLXnsuzPk;
z1HVxV&DeHRX}^7i{U-a(c4zn!=s~~If=gjxSB4hYO6Bz&9?}9?+N3Y%1(!@1(k8v`
zFddi|SYjK}wua50X^(~-=*2XSTK}+Axi<?9I?cMa0<>Aye_t};bi*w0o(@l>t{%#9
z6r%W0`Bnf-IH8%xkkD@&V&$UPK-Mf2a*9Mwg-@WX>Jj8^p|%XE^O^9>6HHit6gkkC
z&xqx1j0lYugj+v@q^J!->aP<C%q%AQZJ=*R-QSO+Qj+%f8xTC+-=73aivIo_vI05l
z@%>-z@0XrT+23!3`fjS&fVzT8itq2&K@d5YQckM=?m#B>;ZlM;S&XFU@8=*XdY-OD
z89qm{oAZtXLk1-S>IFy|`}?21V5J`cbMpRvI;QdONXGj6eqf^1-^F-dKr#bG4XAI5
z{6NkXNc}hU_x%%if4`J@m$bkC93G;-KQ=d6fB*C6tiL}EHN*S+$=MXLow^fDvHt!B
ziJ-qf!>Fvkw<4LMzyE@9pVVI=?v(w#1;(Mjk0M}JR}x6k-zP)Qe{+9dQGnt@<!=D6
z{yvD{=(nCo-QTUSN%r?iOnBxY$Y5gsJ*3dzuizT*mKsl!#`BRU`}=2?P?0k){1)i<
zfWCpx?n^PPYZ&$7`ga8gWY?O43@y}LVAE}^5Oojf2pq-eUous+hC<`eUj^15fz{zI
z`Y9@wO{X=ze{)zhy(ZLYrlEZ2XRI|m22GB@N1#*(cAx=7Cx8#Hg?-l%Q{cD*^9@?T
zc7`2xgggbg`mca!?#yeTUJLmPvM?8D=FH_l+4?}+dSEp0O5pl$NG{l1kn0G75t>+m
zU+5j6!>YSz;?kFqzF^Km(&tw7Dl&^oMH{&mwByz+wD{xJ73tg9679G(y9!opI1VY8
zwj9zuMNdJ>6jXl$(A&?PwpObT0}H7Cif?L@6w%lc&Wff-LC30%=9ukz3G~SEm#wl>
zR7p_%kQLHdHcY9t_hAebLNToe`RuhFn}oHfD+(8CQVZo}UW}pQ`EF2XzNWgohH`1a
zy`rGd5%8lDcf-FenM4kio54@M&JaF(IAq);T?sZW^$<y&&!yhIh)azUQpJEl^<LC2
zmJDZM#kKwsFg{D8n*;4E%Yn+w<?A?Xn7A-$pGE2*GOV2yQDNOA9ym=)fMDigD98Gw
zih${D-V!qOM?a-jfTlxDfwzK#SXSsQpkr-Gt>CC$3xp!jv)!bxMS9wbg0rk4A2vTw
zxX;F1A!`u)<ktL*E0EsrhloCg)AY%JVF#_UtC5P<$KvPDAZ?+Uuh_x79^EFWUJlzS
zHvN<nEPtC^3FbTm(4(8Mi=+5Cf_W~Yn~pnznfWZW+Ywsw7j)IL&ebl<Y$j4@%|I45
zi$e%sjp^;0z-}$HJcI8SkK3(Th4fW$Y+h*WD~`Z!LdNexQ>W%W_L$bQ4J|(FtX*19
zKQ;Xq@%b}8uN=4D(2vg^d|o<kUA_&Ut;em`ftEdM2pina=c*xr@~V-3P`Y=d5^JjP
zdMvr)HkeprAIW&0x3QUh;L(HV1VMEIOvakxe3|tyvS<q)c0dEIr=C|SIH8#}By&Av
zBw+>!Sc4;)Y2eVugMUEX1Jnfc<0tJ)pQp12NR9&|cC&vZ`eJqrkOehW!3j@*Sv1L_
zJlHWC?V~)}f3Uv+t(umB)+b-Y0Fee1`xk08v}VL$-1iCk@w9#4{*%`8qDkxdI=%DP
zWV<Z*=jds?YliQ_5;;B|u#e6rVBh^<6T9u@a3yYNrhx$kIjKA4d<jQrlYIj`LF>2$
z=4<Y}!=P%t5$oDTjI0KUe3`li0K3zkev@X^woTjKc>x;8cX?hH0g=-)WcH8MuZAaB
z4V{AwdV1fzdu~uQ0i(^*9#Cii;-i$<m|A;3gKZdq$Y$xvz|~QY?_<m8N;o*<MlG<P
zZ?@9R5E)RPs}!rJt%tEkP@e&+oqSXO$=|43s`nF0<^IG(o7g)E9Z)v`07rk!`!%Pm
zmy`kZ7qR3<BvA_S1(4JNMe_&@sMiBzAOo6vi_z8fcd!^AP;)^hz2R}}>_gEPgB*Ss
z{g?M2EG^f63M`o)Cs1>wQsaJn3Y7eK;|TNPWkRX63L01fMcW7ue1Id5{tIase7qow
zA{fYfn`K}?&if0cp6!N8wz(Qme+L5ddO-bIEctXS`4p1O-2rtKl4MQvNMsh7Mn@vY
zU=a3TPoY?QUp`Sond4_-4y6`|(eZ^+K>g*9F~m{|6q*61GdGUv^&~A%W-!_);aBkm
zhdxDZbBB)R#W|D#OV|vPH;Pivc7tCybO18Kq1R){zs8b-ND7A@MKaEzX{=m0l+PU+
zM6pqa=FdoU=*y4d9cqGu<k$}YqYh1HI@$4)zKb(#$s$^){7R_TrwE}HfMK0BV?LxB
zHn8zbj7?8n1;%I5h1l3Mpw=R`s9H9VQ3pqMcnucKh7n)``ajNSsQ=d^`ycgx=niJy
z2DNnL7C-=lIUmDc8Vzm*hSA^@P>cp|6QI$+&&X;XWH1_70OCf23o#m;&-2bC5FID1
zYoCW%dJ$rWPV)%V(L=r9SAd3Y9C)9)^?>?)u&_>Gee&<<z4ws;C*Rci(CF#O*QO0v
zzdwyyI(iBHl?%qxsv-UHFzY0<nZ4-j=Ml$%>H^Mq0(te6HK5LwlmT^xOa}69qRc?v
z90rO;6Btm(0+1;|^)18{)5`QD!`7WtkQlZ^4Gf}TiGlh}Ow4RuqR+=Jc|Z+75!v(c
z@5Q;OJ{bdBI2aut^vM|7!!1#~_uad?lSHWrdJIu&0Gb%3yDyH9(D!r}p-YIBhLQJZ
z6bckwKsXylR*#G8b!9ArhLK8^%9}*M*!j{yV8I<wKSjG2$x$)tpFoZ4aotp1G=w|>
zV=#o2qey$-g+vWy{<;D^jzUO7$Q6M4cMqe-QA!LUCxKIs%O`0$gxo{YwEl$JWz5H;
zTj)(Pdfew&PU_o)&_{sbQttG(U>J9LEm#a==S-GCPS0nlyeR~XPFq0`o}NNIi)40;
z`W~opPT$T9gmrze08Uq;$f(m#UzzCi{U63VohIzRl%%E8UC<dGh5n#V1{wQJ`}J~}
za4Etlc4xFasnBmj-wUc%n1yOze}t?F=Bxl3(juWQlXh}1j#kWAv*j&>7l0G40Sv4u
z7_Wt<ya{%M3VSoQ;L*%EA3?undKpXRy_CX=Kg$s;Is$zTtbqWqpc`MHg;u<QHDt~M
zoZu<I%I=63nuh~0M?oRRyC76LLNjtHQMe#9MZAwd@#zIvQr<ASx@RDxx@RZWo!6_s
z%|%5%^8rnwg|yUEp8x@iN-Q96pdFUonmuR8G41c2{a86sLFN?&Sywd|jPLwcte`4n
zXsif!Y;zN?z=AruJ~OT-u|3tV!hjM~i(r1-dJ<V|J$dR_{CcvLWJc2<6jXCzoLp8e
zBY}YWIYOoHg3N&W7LwFzKK_ky{AT077(Z%B*RyEK!JH?++`GqrQBeJ#l<N0?OAhmw
zNlSdt+OR>t3XLJC-ov;$-;vAb{pC>A4poxyDhL$7=JN>Ntge6nDok|%>JyoP(~x8a
zK437A*(bIf_ma{Jpp+C{0!2(YX|q5SQ_xCQNVa+s@n+F_{b<~5Mdu?FZ!zDMk-k@`
znFrN<=f+|;4s=@2NiFw6i>xpEQj~LeidZZDgZZuvx`Q*b5iy#|*gCL$F|_u6VO_fs
zt_Cx!3Bz3YC}BD8qhOi~9|MNDa5sh8o%b4<LkdU)rhZD~%hZDa!{)-j@x1p4B+i8w
z{S}^KeT6)FzF{tOgT*k)*O9hib79l4xp3n_8Yb2Ai5*>j?OZ+=mIH_72x;C_${J8F
zkdy(Hj$}k;DP;!o#xYRzE_pqm>HuU)P<@1g)9=4J$z1pw!(1qKBUO`SmkYmy^>}pu
zs?TQ|tm~kRiv9R0F&|=gQi}7|VEMmMF<)4F>o8*LH)Ej`%={&hUb6PyNTgSYlv9ot
zK<}xRfdtVHX|p^J=?xUsT6Bpdb7v;h7@~S6(8Q=F&YcSmu!s(zG&Xns7DZt0e1UK_
zcfN?fX);VBZ?O!TMh>x5-fIMm)5s<eSiA?+AH|Z7#gexp88?lrWL1Z0<Te<CX~c&j
zqpQ{ZrHQN6`GfJR)n|dz-1%3)=rq#Ebn>}#9P=?ccRqs()Yl22-vWkB-07E5qulA;
zU@<s-fMt-=M_DRwF9D;|{|16^dSfj4`&jZjNX9vRvvhh5nH|dfHj0cot(PP^z3lyX
zr*{G;r#}IVI_-o`K6jo3S-wBVc!aL*ErZFu5&yUWbpev}=(mxQ0d<bR!Sz0(Ex7uS
zWL)z(SHHl)^^=&cTcoZDoa+v$3)_3V!N<W6y)U<4?+DHO_%fQls{?P@msSTpw=b~=
zPGP7k+6VGt$E2@m+|={mgGF1vHv98S-xc<=1J6&Y0*CF9vG21pg=zacKcc}mHsKlH
z(NlTbVK_n3Nt}d_JR=bpiNHt%Mj|j0fsqJ|L|`NWBM}&hz(@o}BJh7#1n75s)r)H9
zOe=Bvy)Erm+~UH|J=<<CZt}GkgQ!$tn;o%opJ+=?AA0if0T2Imq%xa+4r*gRiFEn#
zV^Q0L=1yDvYQMLGG2zFTafL($qs0_mZBu3x*_6ffV@n%;O6vAbw<$%b9&CO6WG*Yq
z-zH1;B7xt%dR9jX9@{FHuZez4YnwQsV<O4f@B?zMt#qobt-;pNgbbtm!!2Xp;)Q%G
zXP)?t+!HUixqNM%tsYUxm9g@!{AZL`5iM`><bOhWlc&VWoAS>nuRN|9d7Hg%G}hLR
zXfv{P;8(cQZH29rb@}8;%5<BZey58@*@g<l?{~eP={CxAdhl~=C7z#2P2v@vTF~9r
z=JUka;q!L5UCrL86{I1lykK<VC&39%cRYUV8jcTLW4ge6)ea!%;nV$UBr*ip|5_wM
zf5?6ea1i*h*CP=d@WI`YNIT%}KSv_{fc<+T5qj5O`%WZM3s|`?64^*_e<bo8;AX(R
zl#gSgEWG^A!g;U*uolom5O0_^0dByt_zB9#QGQlB<Nz-RRPY+33a}Dz1>go8+-?NS
z!fWF`z-~bK<J7TWr^j^1BE{5|WxC+3(HR?HBhkm>lL24o4W3dpnqGq|1^D1(Q|W#s
z5~&2AV#%6g$(?5%b9+X&a?QA_E}dL(F{q4Z1>i2oA0WP2maO~I?3UbhX1m4KlRnqd
zpKk6oooTVvSaR)_tXY-}Z4B6`+z0TfLrjYRl`2bCqa{OeAo(~xjsGhWISQXi-}lpI
zS#sB#XIX5a^jVg|`_w8+$+}ThmWrOyb1j4E<^ySGS}N?8lG&ERDvJ%gkdft(zEk*Q
z{ONy>KD=sH9Po3~TR6NH{;ntcLS)~4>2^!uI(4q)Sh~3rP8T8uQG4v<H`#L^<c9td
zi5wR4!~BCU>qgnRf8FYx+&gGS2~lnHNE`pH>^|su@NK;2Ap&CDla_V_p=7_K9YWq3
zw7+)BLyT`d(~?mQQL5XqXnVVncR%GJW}&nNmfZWO-qxkhu@v@DoYU$og*6r%DwGEm
zFOC!k<SO39yDCvXMmbp71OL0#w5Q>|QL=gr)%m@UeGcuN$|rj~Ftid$>KBJV|N5JB
zns23;8kLGD;FuRW4nYUKQ>lo?75*68O)RcemUgq*WT~jJlqAFzdUEk8fgKOv1&|+U
zW85f@`sfhyekAfb5!1PdDf!okyfugL_x~bqHT)xbH|S4;PVpmsZNl#dLEi^@HTr8}
z9YkYk{%)e*3wZ7GGWS7;jxpg*p*wArC8G*y8Z&A!Hn7od4)vpIipOl~N9Ze}A8EXu
zRkpG|lo$;f3}(Q#F6g1xfFsXH1V$n-5`q8UA|UTSk@ua@6hjZ)sX~v$>CP4-u3%0w
z;+6!Q?r@>!EDrdEE=bd#Ow&^+-awwuQAOU%a)H3<Ei66bI8fyMEVQPhN9KQiI?~2)
z%n9_!vAkO(=<hV?DHQqiN7VGVgne?pq4|%V91f!2LJSK!P7-3uE)fr!1L+yfLG<pA
z<@C2IcqIKnVX(BjpXJ8xMv>*?uM(I)$Y!jk1)eJeBLbIp;V)(w|3Og@{+f^BGG7$)
zPY3c|xx|8}vQ@aE%n@*zfDHn!5^$Y>KNj#;0{%h3odUik;D-W!A>gQNUh=sDeoMfq
z0?rX|nShCQN_<xxPvOYH?-Yj^M6vxJe%gI)tC~ExyGrgk*(Os_7|yqn+;H(7$8X4&
zbRo{=*&a4dT#<aSt>&$+_I8)TzMW02s}joLxiKA5K9N7BZ|=3%Vuy`8^d{L#ONz^I
zN!34k%ov?E$qs2?rdz4xJ%t7`{tnx$=t=q0m5d}EhHkKu<3_xmQHmU2;_0Im*$?CC
z8H((`@$@qkIWEN0&s6025l_cxCE9m9{Vc_nl%A>7C28Mg#S$HV<Mmjv={8b$+KfWw
zJ&wj)vy!be(t<qUG2^B^Ii4G{%*r{@aXg+rR!KHqm@yj5d$!{F&y9}9@$~bQ{yHOt
zr_I>;RMsb>%h@NEN5gu$@@XVS;VGKOOosMj6AZ8<DSuuHI-LoaFiY&NLjsSSA8G$&
zQml%tlBoRbf*^%AnLP_ZPs425pHRQo3Hq@Fx<}CEJP(vTci`J(h>x7_*D?C=`g#I%
zDp#%>m=b(F!}y2S`(DtK*?%+z-2?-Y@t*@a#jVc;K|Er5RW20tO@c1h7c$Pb3A$Vt
zOcMNEf-ctsQv`j3pr6f)QLYj6Izg9Vod<d{JKZVh(*8ox4in2A68aPEKPc$Ze(7(P
z&?D`Ue(8c=#z)$}ThOIn9j4^=e=h|+RXhAC_)QoGp4LRb3?Ny29tS@SVu|Ak-NR|3
z8`bIz3Xpu0@t-|x-1tz?6UUh^nV#X}$u<Nqjc%Mv7$@t~6~%^jl{jvsr77?#SFyRd
zJz!(c1kle$``<i)<5L8^gwX|J0RNJL-YWFi#5!2k?_DYQ9})b=Xkfv^&e#B-NWtF#
zgUL>L-|`hqN>Tm{e)6lXo)e^BCsODcYv%m@g1=Jep>rhJmIR4`Whv+lpxca$BHbzU
zukmn#w5N;gNgF;-J(NQKZ&T1;WAserm^goDXJ{yDe+vH7pxcCPMlcSBWn+9+Dmhi!
zISGkmakz@nF;0pN0z31C=p4{(Tt(b>9q3s}+F^^(v-vX4&d%nL>=yK6q8+mHMbLl9
z=y9qUvJLc$hm)1}Qt+G5AgP@w9xenn_Dlqw+SRd(IL^*Wk-SRq7rHrJ^4AM`cS8H2
z^;34*c}j(#b19r53%Xo)OZrbhr*a4B1tFf}94MOvy;j(Bzo7RC`sPwj@Cy1aMi+<y
zd;~iA+m+z&7;GS^+}g`I^DH4VPSD%M#!c4mL_yyu_-S6Jr;O2g+W5Up@DB=pc3ujG
zTT<}<2=px2S(XsDpQqseqtIU>+K*op{wnC?Z@2JQ?n~+3aH87;eYxOQvA;~#&L=WD
z)|p~s&fXnBrVR9KwCBM(uArL(<$#IXzd`61WW^!$l!*FbXTHevq$szC=|}Jr+S|i|
zUXVclccFjK#!GA$1@8o%`dwl?UlV#BOwjW=(<6ipU@QViajO*kGHzv{vvF7ikNl^n
zQqb$f1WxM}dS(kf8x!<+1pVHG`cho=O+~G3es3{d8Vtngcdb;KTATbJB))W~x6qBa
z5*jxGi_49R%dyXL`}`gLPW;%$t;8;jcKTbKZn`oWw;1DYW#`J~wtC$B?D4nxI-IV~
zF2&u}(%$U#dp*#Ql!LA>Zo)mtbZfJ>)$d!4ON(8&ZrRh>(y|&N1`Hd>Cb}{?#%eUZ
zrOnfc*P!%g1H<2=(}p+xWo^{Ua>mXao)Sxz#gda_$r85njVUsenfMykh#T0bSbtlm
zyU`naZ|ro=S!A!7?VP=!itgEVVt4DDtqG!5wMcQ!bu64^cQ_Z$nX`EI66X^8EXQnO
zjEjdSp1`i{R-9EgEU?#9UyHnG2%Ip-S+lUp$#(P3rVeL)XH&CZsc-fOlHum+=)Kyp
z8@($lqnABbhzqGfk{3kdE@*KNwY#H}Rjxr>+@0QWdRScO4=>=Cysg@qc=dLi1l*T@
z0TT6y-<I9f>hX3N)yR9t|Dil-q(2vlnUHWld7K8^&<$KVJ`H}yUzm<t(Alf`sCm(2
zjabn6P2L7IvG}nXbkaTE@!3>QQnNQMUa@P&<Lvy#OWvy&;;(2tO|8z(4zGt@7#?35
zg#`T)7o&gE4e(Bn%kSbhk4F!IV%|nc(Q_zcEk~PJ!X51KKEz#h9&ci-whVW}8>De1
zxicCu+4v0+jP?L|{1iJLqh2<=<HX#EiY9A~(e?=?xLH5izdapo&PKFJ+_6t}8PgU+
z+1VQvPFJuysV7liAKotMrg(#=xL$skqoNv&z1&bUvFdGbvf_DOTuFwj^W(~r;WC8M
zAQ!Dx!;SoL;!bCMM~7%Li5K02QS_@R(Z(Y!OXVR>7l(Tvv&~?d;okl@izpb)Ue_w>
zR7pmc+Z*ZsGax2;<-T*u<g$`!Wmi^|8yhsKr;GjLbSG0NZ}A`A!uUa}3@{(46{nYa
z8B80_&)N`gG_fWb9Y^K=NRVJq3N`Fp*Lafc#Q!&d|4iVU%S{q{R$+=#+_AdF@2Us%
z`#5ZrsU{j&+LdCqG+Ei&SxhsLr>MyzNcLIPMYK{Wro2X1N25~gS=|bK9Qu7cXO-92
zfj_Z|L!8L-d7E7%AX4p^<ce88D)xK3kfx;v^4eHfi@l9vvC-&(ti-qkUv+Q^nTBFl
zOOqR=wm}!Zidg|%8Jf0IjKxn2#!kLw`>%Y{`z~4%rU@nTJX=EfzDt%NmX8uuE<p-Q
z(x|*V_m;3A%E=Sy3HVgtMtONYE}<=fKT*C4`M3(CP1-Nd(Iu4jV|&FOEMwyy+_}pB
z9{?#Y&)X$jE;6t!VR4f3SoyPO8NSW<NO^fKFQI(T$GN!<nI=d-@T7NYQeK|lOIRkD
zrTvmm!dsC~@8~2h&-o?n7V>02*(vQ8WQERODW+0hz7LSFUogt@rM&cit&pE3_~d&7
z3FUiAlBcukMEUigQJW(B*dx!!1eEV%Wp-ly2asWuw+T53D-#-Qf_nD1az=T%ACmAz
zn=F|_DKDuHAz_r4@0BH#=c$rE(f*A>UdCUk6r2KXq)Ib9iREuX9+fZU<+-MWI}Eav
zOf3Hopc&=m`xFUl69i=aNwxh*Sn!c%%JWe9|6nEZOI*TNA&XP3sJwj7zPScOJd%%N
zF<jF3B15)q;*sxh<o`2f6M>QKOUlVO9)Jw_FYTA_d-g6QZFq0bLG)Y7OZXvjjPgpI
zV6EkFvp^+~auOazhEcx1j&t@4c^_pO9-ARe$<Og2UDAH}o~djR<>K$uWW(U7ViQn;
zuaKZ3N+dx*DW7=eBF!<vgd&&*O_XmF9f10A6+Y5$IeyT40%<!F6km-_o>(IV1YMRZ
UdFl8fnf#%ZoWq<Tkbo-x0RXFoNB{r;

literal 0
HcmV?d00001

diff --git a/jastrow.irp.f b/jastrow.irp.f
index 3851ff8..3986c32 100644
--- a/jastrow.irp.f
+++ b/jastrow.irp.f
@@ -1,8 +1,6 @@
 program jastrow
   implicit none
-  print *, elec_coord
-  print *, ''
-  print *, elec_dist
-  print *, ''
-  print *, rescale_ee
+  print *, 'The total Jastrow factor'
+  print *, dexp(factor_ee + factor_en + factor_een)
+
 end program
diff --git a/nuclei.irp.f b/nuclei.irp.f
index 34a514a..c2b431c 100644
--- a/nuclei.irp.f
+++ b/nuclei.irp.f
@@ -44,7 +44,9 @@ BEGIN_PROVIDER [double precision, factor_en]
  ! Electron-nuclei contribution to Jastrow factor
  END_DOC
  integer :: i, j, p
- double precision :: pow_ser
+ double precision :: pow_ser = 0.0d0
+ factor_en = 0.0d0
+
  do j = 1 , nnuc
     do i = 1, nnuc
        do p = 2, naord
diff --git a/orders.irp.f b/orders.irp.f
index 0cf61a1..ab48763 100644
--- a/orders.irp.f
+++ b/orders.irp.f
@@ -45,7 +45,7 @@ END_PROVIDER
 BEGIN_PROVIDER [double precision, cord_vect, (ncord)]
  implicit none
  BEGIN_DOC
- ! Vector of the `b' coefficients
+ ! Vector of the `c' coefficients
  END_DOC
  do i = 1, ncord 
     call random_number(cord_vect)
diff --git a/rescale.irp.f b/rescale.irp.f
index b5e6a80..d919b59 100644
--- a/rescale.irp.f
+++ b/rescale.irp.f
@@ -11,13 +11,13 @@ BEGIN_PROVIDER [ double precision, kappa_inv ]
  BEGIN_DOC
  ! inverse of kappa
  END_DOC
- kappa_inv = 1.d0/kappa
+ kappa_inv = 1.d0 / kappa
 END_PROVIDER
 
 BEGIN_PROVIDER [ double precision, rescale_ee, (nelec, nelec) ]
  implicit none
  BEGIN_DOC
- ! R = (1 - exp(-kappa r))/kappa for electron-electron
+ ! R = (1 - exp(-kappa r))/kappa for electron-electron for $J_{ee}$
  END_DOC
  integer :: i, j
  do j=1,nelec
@@ -30,12 +30,38 @@ END_PROVIDER
 BEGIN_PROVIDER [ double precision, rescale_en, (nelec, nnuc) ]
  implicit none
  BEGIN_DOC
- ! R = (1 - exp(-kappa r))/kappa for electron-nucleus
+ ! R = (1 - exp(-kappa r))/kappa for electron-nucleus for $J_{en}$
  END_DOC
  integer :: i, j
  do j = 1, nnuc
    do i = 1, nelec
-     rescale_en(i,j) = (1.d0 - dexp(-kappa * elnuc_dist(i,j))) * kappa_inv
+     rescale_en(i, j) = (1.d0 - dexp(-kappa * elnuc_dist(i, j))) * kappa_inv
+   enddo
+ enddo
+END_PROVIDER
+
+BEGIN_PROVIDER [double precision, rescale_een_e, (nelec, 3)]
+ implicit none
+ BEGIN_DOC
+ ! R = exp(-kappa r) for electron-electron for $J_{een}$
+ END_DOC
+ integer :: i, j
+ do j = 1, nelec
+   do i = 1, nelec
+     rescale_een_e(i, j) = dexp(-kappa * elec_dist(i, j))
+   enddo
+ enddo
+END_PROVIDER
+
+BEGIN_PROVIDER [double precision, rescale_een_n, (nnuc, 3)]
+ implicit none
+ BEGIN_DOC
+ ! R = exp(-kappa r) for electron-electron for $J_{een}$
+ END_DOC
+ integer :: i, j
+ do j = 1, nnuc
+   do i = 1, nelec
+      rescale_een_n(i, j) = dexp(-kappa * elnuc_dist(i, j))
    enddo
  enddo
 END_PROVIDER